N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide

C28H29ClN6O — CID 90416114

About N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide

N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 90416114) has the molecular formula C28H29ClN6O and a molecular weight of 501.03 g/mol. Its IUPAC name is N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 90416114
• Molecular Formula: C28H29ClN6O
• Molecular Weight: 501.03 g/mol
• Exact Mass: 500.21
• IUPAC Name: N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
• SMILES: Cn1c(CN2CCc3ccc(-c4cc(NC(=O)C5CCCNC5)ncc4Cl)cc32)nc2ccccc21
• InChI: InChI=1S/C28H29ClN6O/c1-34-24-7-3-2-6-23(24)32-27(34)17-35-12-10-18-8-9-19(13-25(18)35)21-14-26(31-16-22(21)29)33-28(36)20-5-4-11-30-15-20/h2-3,6-9,13-14,16,20,30H,4-5,10-12,15,17H2,1H3,(H,31,33,36)
• InChIKey: JQKYBMASEIJMOT-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 75.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.03
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide?

The IUPAC name of N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 90416114) is N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide.

What is the SMILES notation for N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide?

The canonical SMILES for N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide is Cn1c(CN2CCc3ccc(-c4cc(NC(=O)C5CCCNC5)ncc4Cl)cc32)nc2ccccc21.

What is the InChIKey of N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide?

The InChIKey is JQKYBMASEIJMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN6O/c1-34-24-7-3-2-6-23(24)32-27(34)17-35-12-10-18-8-9-19(13-25(18)35)21-14-26(31-16-22(21)29)33-28(36)20-5-4-11-30-15-20/h2-3,6-9,13-14,16,20,30H,4-5,10-12,15,17H2,1H3,(H,31,33,36).

What are the key properties of N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide?

N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 501.03 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-4-[1-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 90416114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).