N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide

C25H26ClN3O3 — CID 1441838

About N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide

N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide (PubChem CID 1441838) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide
• PubChem CID: 1441838
• Molecular Formula: C25H26ClN3O3
• Molecular Weight: 451.95 g/mol
• Exact Mass: 451.17
• IUPAC Name: N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide
• SMILES: O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)c1ccco1
• InChI: InChI=1S/C25H26ClN3O3/c26-21-10-5-4-7-19(21)17-29(25(31)22-11-6-16-32-22)23(18-12-14-27-15-13-18)24(30)28-20-8-2-1-3-9-20/h4-7,10-16,20,23H,1-3,8-9,17H2,(H,28,30)/t23-/m1/s1
• InChIKey: FXVHCKBGKPSOFC-HSZRJFAPSA-N
• XLogP: 5.16
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.95
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide (CID 1441838) is N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide is O=C(NC1CCCCC1)[C@@H](c1ccncc1)N(Cc1ccccc1Cl)C(=O)c1ccco1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide?

The InChIKey is FXVHCKBGKPSOFC-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c26-21-10-5-4-7-19(21)17-29(25(31)22-11-6-16-32-22)23(18-12-14-27-15-13-18)24(30)28-20-8-2-1-3-9-20/h4-7,10-16,20,23H,1-3,8-9,17H2,(H,28,30)/t23-/m1/s1.

What are the key properties of N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide?

N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide has a molecular weight of 451.95 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 1441838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).