N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide

C28H36N6O2 — CID 54670267

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide (PubChem CID 54670267) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide
• PubChem CID: 54670267
• Molecular Formula: C28H36N6O2
• Molecular Weight: 488.64 g/mol
• Exact Mass: 488.29
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide
• SMILES: Cc1cc(Nc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3c(C)cn(C(C)C)c3c2)n(C(C)C)n1
• InChI: InChI=1S/C28H36N6O2/c1-15(2)33-14-18(6)26-22(27(35)29-13-23-17(5)9-19(7)30-28(23)36)11-21(12-24(26)33)31-25-10-20(8)32-34(25)16(3)4/h9-12,14-16,31H,13H2,1-8H3,(H,29,35)(H,30,36)
• InChIKey: LHCKNUSOWJSHNM-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 96.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.64
LogP ≤ 5	5.60
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]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide (CID 54670267) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide is Cc1cc(Nc2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3c(C)cn(C(C)C)c3c2)n(C(C)C)n1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide?

The InChIKey is LHCKNUSOWJSHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-15(2)33-14-18(6)26-22(27(35)29-13-23-17(5)9-19(7)30-28(23)36)11-21(12-24(26)33)31-25-10-20(8)32-34(25)16(3)4/h9-12,14-16,31H,13H2,1-8H3,(H,29,35)(H,30,36).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 5.60, 7 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]-3-methyl-6-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 54670267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).