N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide

C30H32N6O2 — CID 71019858

About N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide

N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide (PubChem CID 71019858) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide
• PubChem CID: 71019858
• Molecular Formula: C30H32N6O2
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.26
• IUPAC Name: N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide
• SMILES: Cc1c(C(=O)NC2CC3CCCN(c4ccc(C(=O)NCc5ccccc5)cn4)C3C2)ccc2[nH]cnc12
• InChI: InChI=1S/C30H32N6O2/c1-19-24(10-11-25-28(19)34-18-33-25)30(38)35-23-14-21-8-5-13-36(26(21)15-23)27-12-9-22(17-31-27)29(37)32-16-20-6-3-2-4-7-20/h2-4,6-7,9-12,17-18,21,23,26H,5,8,13-16H2,1H3,(H,32,37)(H,33,34)(H,35,38)
• InChIKey: QLNZTIIQPZMUDB-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 103.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide?

The IUPAC name of N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide (CID 71019858) is N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide.

What is the SMILES notation for N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide?

The canonical SMILES for N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide is Cc1c(C(=O)NC2CC3CCCN(c4ccc(C(=O)NCc5ccccc5)cn4)C3C2)ccc2[nH]cnc12.

What is the InChIKey of N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide?

The InChIKey is QLNZTIIQPZMUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2/c1-19-24(10-11-25-28(19)34-18-33-25)30(38)35-23-14-21-8-5-13-36(26(21)15-23)27-12-9-22(17-31-27)29(37)32-16-20-6-3-2-4-7-20/h2-4,6-7,9-12,17-18,21,23,26H,5,8,13-16H2,1H3,(H,32,37)(H,33,34)(H,35,38).

What are the key properties of N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide?

N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide has a molecular weight of 508.63 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-(benzylcarbamoyl)-2-pyridinyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-6-yl]-4-methyl-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71019858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).