2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide

C34H32N6O3 — CID 170557611

About 2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide

2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide (PubChem CID 170557611) has the molecular formula C34H32N6O3 and a molecular weight of 572.67 g/mol. Its IUPAC name is 2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide
• PubChem CID: 170557611
• Molecular Formula: C34H32N6O3
• Molecular Weight: 572.67 g/mol
• Exact Mass: 572.25
• IUPAC Name: 2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide
• SMILES: CCn1ccc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(Cc4nc5c(C(N)=O)cccc5[nH]4)cc3)cc21
• InChI: InChI=1S/C34H32N6O3/c1-4-40-13-12-24-26(33(42)36-18-27-19(2)14-20(3)37-34(27)43)16-23(17-29(24)40)22-10-8-21(9-11-22)15-30-38-28-7-5-6-25(32(35)41)31(28)39-30/h5-14,16-17H,4,15,18H2,1-3H3,(H2,35,41)(H,36,42)(H,37,43)(H,38,39)
• InChIKey: QVEJJPRKGPRJKU-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 138.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.67
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide?

The IUPAC name of 2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide (CID 170557611) is 2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide.

What is the SMILES notation for 2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide?

The canonical SMILES for 2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide is CCn1ccc2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(Cc4nc5c(C(N)=O)cccc5[nH]4)cc3)cc21.

What is the InChIKey of 2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide?

The InChIKey is QVEJJPRKGPRJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O3/c1-4-40-13-12-24-26(33(42)36-18-27-19(2)14-20(3)37-34(27)43)16-23(17-29(24)40)22-10-8-21(9-11-22)15-30-38-28-7-5-6-25(32(35)41)31(28)39-30/h5-14,16-17H,4,15,18H2,1-3H3,(H2,35,41)(H,36,42)(H,37,43)(H,38,39).

What are the key properties of 2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide?

2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 572.67 g/mol, XLogP of 5.13, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-ethylindol-6-yl]phenyl]methyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 170557611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).