N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide

C26H34N6O2 — CID 70872507

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide (PubChem CID 70872507) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide
• PubChem CID: 70872507
• Molecular Formula: C26H34N6O2
• Molecular Weight: 462.60 g/mol
• Exact Mass: 462.27
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide
• SMILES: Cc1cc(C)c(CNC(=O)c2cc(-c3cnn(C)c3)cc(N(C)C3CCNCC3)c2C)c(=O)[nH]1
• InChI: InChI=1S/C26H34N6O2/c1-16-10-17(2)30-26(34)23(16)14-28-25(33)22-11-19(20-13-29-31(4)15-20)12-24(18(22)3)32(5)21-6-8-27-9-7-21/h10-13,15,21,27H,6-9,14H2,1-5H3,(H,28,33)(H,30,34)
• InChIKey: CGZMRFPRXDDQFN-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 95.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.60
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide (CID 70872507) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide is Cc1cc(C)c(CNC(=O)c2cc(-c3cnn(C)c3)cc(N(C)C3CCNCC3)c2C)c(=O)[nH]1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide?

The InChIKey is CGZMRFPRXDDQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-16-10-17(2)30-26(34)23(16)14-28-25(33)22-11-19(20-13-29-31(4)15-20)12-24(18(22)3)32(5)21-6-8-27-9-7-21/h10-13,15,21,27H,6-9,14H2,1-5H3,(H,28,33)(H,30,34).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 462.60 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-[methyl(piperidin-4-yl)amino]-5-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 70872507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).