cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane

C34H52N5O2+ — CID 172617322

About cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane

cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane (PubChem CID 172617322) has the molecular formula C34H52N5O2+ and a molecular weight of 562.82 g/mol. Its IUPAC name is cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane.

Molecular Properties

• Compound Name: cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane
• PubChem CID: 172617322
• Molecular Formula: C34H52N5O2+
• Molecular Weight: 562.82 g/mol
• Exact Mass: 562.41
• IUPAC Name: cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane
• SMILES: C1CCCC1.CC.COC1=C(c2cc(C(=O)Nc3nc4cc(C)c(C(C)C)cc4n3C)cc(C)n2)C[N+](C)(C)CC1
• InChI: InChI=1S/C27H35N5O2.C5H10.C2H6/c1-16(2)20-14-24-23(11-17(20)3)29-27(31(24)5)30-26(33)19-12-18(4)28-22(13-19)21-15-32(6,7)10-9-25(21)34-8;1-2-4-5-3-1;1-2/h11-14,16H,9-10,15H2,1-8H3;1-5H2;1-2H3/p+1
• InChIKey: RYKRQFHZBORBJY-UHFFFAOYSA-O
• XLogP: 7.78
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.82
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane?

The IUPAC name of cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane (CID 172617322) is cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane.

What is the SMILES notation for cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane?

The canonical SMILES for cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane is C1CCCC1.CC.COC1=C(c2cc(C(=O)Nc3nc4cc(C)c(C(C)C)cc4n3C)cc(C)n2)C[N+](C)(C)CC1.

What is the InChIKey of cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane?

The InChIKey is RYKRQFHZBORBJY-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H35N5O2.C5H10.C2H6/c1-16(2)20-14-24-23(11-17(20)3)29-27(31(24)5)30-26(33)19-12-18(4)28-22(13-19)21-15-32(6,7)10-9-25(21)34-8;1-2-4-5-3-1;1-2/h11-14,16H,9-10,15H2,1-8H3;1-5H2;1-2H3/p+1.

What are the key properties of cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane?

cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane has a molecular weight of 562.82 g/mol, XLogP of 7.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentane;N-(1,5-dimethyl-6-propan-2-ylbenzimidazol-2-yl)-2-(4-methoxy-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)-6-methylpyridine-4-carboxamide;ethane is sourced from PubChem (CID 172617322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).