1,3-dimethyl-5-(1-{[2-(pyridin-3-yl)piperidin-1-yl]amino}propylidene)-1,3-diazinane-2,4,6-trione

• ChemBase ID: 194984
• Molecular Formular: C19H25N5O3
• Molecular Mass: 371.4335
• Monoisotopic Mass: 371.19573969
• SMILES: C1(=C(NN2C(c3cnccc3)CCCC2)CC)C(=O)N(C(=O)N(C1=O)C)C
• Canonical SMILES: CCC(=C1C(=O)N(C)C(=O)N(C1=O)C)NN1CCCCC1c1cccnc1
• InChI: InChI=1S/C19H25N5O3/c1-4-14(16-17(25)22(2)19(27)23(3)18(16)26)21-24-11-6-5-9-15(24)13-8-7-10-20-12-13/h7-8,10,12,15,21H,4-6,9,11H2,1-3H3
• InChIKey: CWVGJTQDAHZJCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-5-(1-{[2-(pyridin-3-yl)piperidin-1-yl]amino}propylidene)-1,3-diazinane-2,4,6-trione
• IUPAC Traditional name: 1,3-dimethyl-5-(1-{[2-(pyridin-3-yl)piperidin-1-yl]amino}propylidene)-1,3-diazinane-2,4,6-trione

Database IDs

• PubChem SID: 164250894
• PubChem CID: 5903024

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.39239508
• LogD (pH = 7.4): 0.39292693
• Log P: 0.3929337
• Molar Refractivity: 111.9785 cm^3
• Polarizability: 38.594234 Å^3
• Polar Surface Area: 85.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds