N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

C27H32N4O2 — CID 56565352

About N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (PubChem CID 56565352) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
• PubChem CID: 56565352
• Molecular Formula: C27H32N4O2
• Molecular Weight: 444.58 g/mol
• Exact Mass: 444.25
• IUPAC Name: N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide
• SMILES: CC1Cc2ccccc2N1Cc1occc1C(=O)NCc1ccc(N2CCCCCC2)nc1
• InChI: InChI=1S/C27H32N4O2/c1-20-16-22-8-4-5-9-24(22)31(20)19-25-23(12-15-33-25)27(32)29-18-21-10-11-26(28-17-21)30-13-6-2-3-7-14-30/h4-5,8-12,15,17,20H,2-3,6-7,13-14,16,18-19H2,1H3,(H,29,32)
• InChIKey: FOSJCLUEPWLHMJ-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 61.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.58
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The IUPAC name of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide (CID 56565352) is N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide.

What is the SMILES notation for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The canonical SMILES for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is CC1Cc2ccccc2N1Cc1occc1C(=O)NCc1ccc(N2CCCCCC2)nc1.

What is the InChIKey of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

The InChIKey is FOSJCLUEPWLHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-20-16-22-8-4-5-9-24(22)31(20)19-25-23(12-15-33-25)27(32)29-18-21-10-11-26(28-17-21)30-13-6-2-3-7-14-30/h4-5,8-12,15,17,20H,2-3,6-7,13-14,16,18-19H2,1H3,(H,29,32).

What are the key properties of N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide?

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 56565352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).