N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide

C24H27N5O2 — CID 122362643

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide (PubChem CID 122362643) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide
• PubChem CID: 122362643
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide
• SMILES: CC1=CC(C)=NC(=O)C1CNC(=O)c1c(C)n(C(C)c2cnn(C)c2)c2ccccc12
• InChI: InChI=1S/C24H27N5O2/c1-14-10-15(2)27-23(30)20(14)12-25-24(31)22-17(4)29(21-9-7-6-8-19(21)22)16(3)18-11-26-28(5)13-18/h6-11,13,16,20H,12H2,1-5H3,(H,25,31)
• InChIKey: NILIQZSSJULRJG-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 81.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide (CID 122362643) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1c(C)n(C(C)c2cnn(C)c2)c2ccccc12.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide?

The InChIKey is NILIQZSSJULRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-14-10-15(2)27-23(30)20(14)12-25-24(31)22-17(4)29(21-9-7-6-8-19(21)22)16(3)18-11-26-28(5)13-18/h6-11,13,16,20H,12H2,1-5H3,(H,25,31).

What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide?

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]indole-3-carboxamide is sourced from PubChem (CID 122362643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).