4-(pyrrolidine-1-carbonyl)pyridin-2-amine

• ChemBase ID: 33260
• Molecular Formular: C10H13N3O
• Molecular Mass: 191.22972
• Monoisotopic Mass: 191.10586205
• SMILES: C(=O)(N1CCCC1)c1cc(ncc1)N
• Canonical SMILES: Nc1nccc(c1)C(=O)N1CCCC1
• InChI: InChI=1S/C10H13N3O/c11-9-7-8(3-4-12-9)10(14)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H2,11,12)
• InChIKey: REBIXQGJYXBIRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyrrolidine-1-carbonyl)pyridin-2-amine
• IUPAC Traditional name: 4-(pyrrolidine-1-carbonyl)pyridin-2-amine
• Synonyms: 4-(1-pyrrolidinylcarbonyl)-2-pyridinamine; 4-(1-Pyrrolidinylcarbonyl)-2-pyridinamine; 4-(Pyrrolidin-1-ylcarbonyl)pyridin-2-amine

Database IDs

• CAS Number: 1060817-34-6
• MDL Number: MFCD11053954
• PubChem SID: 160996567
• PubChem CID: 25219133

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.10323715
• LogD (pH = 7.4): 0.22311185
• Log P: 0.22489485
• Molar Refractivity: 55.3278 cm^3
• Polarizability: 20.050703 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C10H13N3O

DETAILS

Sigma Aldrich - CBR00164

Other Notes
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Legal Information
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