N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide

C22H25N3O3 — CID 58492138

About N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide

N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide (PubChem CID 58492138) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide
• PubChem CID: 58492138
• Molecular Formula: C22H25N3O3
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.19
• IUPAC Name: N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide
• SMILES: CNC(=O)[C@@H](NC(=O)c1ccc(-c2cc3c(cn2)C=CC3)o1)C1CCCCC1
• InChI: InChI=1S/C22H25N3O3/c1-23-22(27)20(14-6-3-2-4-7-14)25-21(26)19-11-10-18(28-19)17-12-15-8-5-9-16(15)13-24-17/h5,9-14,20H,2-4,6-8H2,1H3,(H,23,27)(H,25,26)/t20-/m0/s1
• InChIKey: HQSBPECVIIFTJS-FQEVSTJZSA-N
• XLogP: 3.34
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide?

The IUPAC name of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide (CID 58492138) is N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide.

What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide?

The canonical SMILES for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2cc3c(cn2)C=CC3)o1)C1CCCCC1.

What is the InChIKey of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide?

The InChIKey is HQSBPECVIIFTJS-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-23-22(27)20(14-6-3-2-4-7-14)25-21(26)19-11-10-18(28-19)17-12-15-8-5-9-16(15)13-24-17/h5,9-14,20H,2-4,6-8H2,1H3,(H,23,27)(H,25,26)/t20-/m0/s1.

What are the key properties of N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide?

N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 58492138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).