N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-N-propan-2-yl-6-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indole-4-carboxamide

C31H37N5O2 — CID 123603214

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-N-propan-2-yl-6-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-N-propan-2-yl-6-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indole-4-carboxamide (PubChem CID 123603214) has the molecular formula C31H37N5O2 and a molecular weight of 511.67 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-N-propan-2-yl-6-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-N-propan-2-yl-6-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indole-4-carboxamide
• PubChem CID: 123603214
• Molecular Formula: C31H37N5O2
• Molecular Weight: 511.67 g/mol
• Exact Mass: 511.29
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-N-propan-2-yl-6-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indole-4-carboxamide
• SMILES: Cc1cc(C)c(CN(C(=O)c2cc(-c3ccc(CN4CCCC4)nc3)cc3[nH]cc(C)c23)C(C)C)c(=O)[nH]1
• InChI: InChI=1S/C31H37N5O2/c1-19(2)36(18-27-20(3)12-22(5)34-30(27)37)31(38)26-13-24(14-28-29(26)21(4)15-33-28)23-8-9-25(32-16-23)17-35-10-6-7-11-35/h8-9,12-16,19,33H,6-7,10-11,17-18H2,1-5H3,(H,34,37)
• InChIKey: PXOVEQQUUVPDSK-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 85.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.67
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-N-propan-2-yl-6-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indole-4-carboxamide (CID 123603214) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-N-propan-2-yl-6-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indole-4-carboxamide.

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

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-N-propan-2-yl-6-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indole-4-carboxamide is Cc1cc(C)c(CN(C(=O)c2cc(-c3ccc(CN4CCCC4)nc3)cc3[nH]cc(C)c23)C(C)C)c(=O)[nH]1.

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

The InChIKey is PXOVEQQUUVPDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O2/c1-19(2)36(18-27-20(3)12-22(5)34-30(27)37)31(38)26-13-24(14-28-29(26)21(4)15-33-28)23-8-9-25(32-16-23)17-35-10-6-7-11-35/h8-9,12-16,19,33H,6-7,10-11,17-18H2,1-5H3,(H,34,37).

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-N-propan-2-yl-6-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indole-4-carboxamide has a molecular weight of 511.67 g/mol, XLogP of 5.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-N-propan-2-yl-6-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 123603214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).