5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

C30H31ClN6O3 — CID 146172901

About 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 146172901) has the molecular formula C30H31ClN6O3 and a molecular weight of 559.07 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 146172901
• Molecular Formula: C30H31ClN6O3
• Molecular Weight: 559.07 g/mol
• Exact Mass: 558.21
• IUPAC Name: 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• SMILES: Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc(N4CCCC4=O)nc3)c3ccccc32)CC1
• InChI: InChI=1S/C30H31ClN6O3/c1-19-24(15-21(31)16-32-19)29(39)34-22-10-8-20(9-11-22)18-36-25-5-2-3-6-26(25)37(30(36)40)23-12-13-27(33-17-23)35-14-4-7-28(35)38/h2-3,5-6,12-13,15-17,20,22H,4,7-11,14,18H2,1H3,(H,34,39)
• InChIKey: NWQYQSCMDIGACK-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 102.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.07
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The IUPAC name of 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 146172901) is 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(Cn2c(=O)n(-c3ccc(N4CCCC4=O)nc3)c3ccccc32)CC1.

What is the InChIKey of 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The InChIKey is NWQYQSCMDIGACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN6O3/c1-19-24(15-21(31)16-32-19)29(39)34-22-10-8-20(9-11-22)18-36-25-5-2-3-6-26(25)37(30(36)40)23-12-13-27(33-17-23)35-14-4-7-28(35)38/h2-3,5-6,12-13,15-17,20,22H,4,7-11,14,18H2,1H3,(H,34,39).

What are the key properties of 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 559.07 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 146172901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).