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

C28H27ClN6O — CID 90412837

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

N-[5-chloro-4-[1-(quinoxalin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 90412837) has the molecular formula C28H27ClN6O and a molecular weight of 499.02 g/mol. Its IUPAC name is N-[5-chloro-4-[1-(quinoxalin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-[1-(quinoxalin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 90412837
• Molecular Formula: C28H27ClN6O
• Molecular Weight: 499.02 g/mol
• Exact Mass: 498.19
• IUPAC Name: N-[5-chloro-4-[1-(quinoxalin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide
• SMILES: O=C(Nc1cc(-c2ccc3c(c2)N(Cc2ccc4nccnc4c2)CC3)c(Cl)cn1)C1CCCNC1
• InChI: InChI=1S/C28H27ClN6O/c29-23-16-33-27(34-28(36)21-2-1-8-30-15-21)14-22(23)20-5-4-19-7-11-35(26(19)13-20)17-18-3-6-24-25(12-18)32-10-9-31-24/h3-6,9-10,12-14,16,21,30H,1-2,7-8,11,15,17H2,(H,33,34,36)
• InChIKey: CFEVUGDSKMDIEW-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 83.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.02
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-chloro-4-[1-(quinoxalin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide (CID 90412837) is N-[5-chloro-4-[1-(quinoxalin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide.

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

The canonical SMILES for N-[5-chloro-4-[1-(quinoxalin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2ccc3c(c2)N(Cc2ccc4nccnc4c2)CC3)c(Cl)cn1)C1CCCNC1.

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

The InChIKey is CFEVUGDSKMDIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN6O/c29-23-16-33-27(34-28(36)21-2-1-8-30-15-21)14-22(23)20-5-4-19-7-11-35(26(19)13-20)17-18-3-6-24-25(12-18)32-10-9-31-24/h3-6,9-10,12-14,16,21,30H,1-2,7-8,11,15,17H2,(H,33,34,36).

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

N-[5-chloro-4-[1-(quinoxalin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 499.02 g/mol, XLogP of 4.85, 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-(quinoxalin-6-ylmethyl)-2,3-dihydroindol-6-yl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 90412837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).