N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide

C29H43N7O2 — CID 134525501

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide (PubChem CID 134525501) has the molecular formula C29H43N7O2 and a molecular weight of 521.71 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide
• PubChem CID: 134525501
• Molecular Formula: C29H43N7O2
• Molecular Weight: 521.71 g/mol
• Exact Mass: 521.35
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide
• SMILES: [H]/N=C/c1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(N2CCC(C3CCN(C)CC3)CC2)nc1NC(C)C
• InChI: InChI=1S/C29H43N7O2/c1-18(2)32-27-24(16-30)23(28(37)31-17-25-19(3)14-20(4)33-29(25)38)15-26(34-27)36-12-8-22(9-13-36)21-6-10-35(5)11-7-21/h14-16,18,21-22,30H,6-13,17H2,1-5H3,(H,31,37)(H,32,34)(H,33,38)/b30-16+
• InChIKey: PXVKXLYALGJYAJ-OKCVXOCRSA-N
• XLogP: 3.69
• TPSA: 117.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.71
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide (CID 134525501) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide is [H]/N=C/c1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(N2CCC(C3CCN(C)CC3)CC2)nc1NC(C)C.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide?

The InChIKey is PXVKXLYALGJYAJ-OKCVXOCRSA-N. The full InChI is InChI=1S/C29H43N7O2/c1-18(2)32-27-24(16-30)23(28(37)31-17-25-19(3)14-20(4)33-29(25)38)15-26(34-27)36-12-8-22(9-13-36)21-6-10-35(5)11-7-21/h14-16,18,21-22,30H,6-13,17H2,1-5H3,(H,31,37)(H,32,34)(H,33,38)/b30-16+.

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide has a molecular weight of 521.71 g/mol, XLogP of 3.69, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-6-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(propan-2-ylamino)pyridine-4-carboxamide is sourced from PubChem (CID 134525501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).