N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

C25H27N3O4 — CID 3196481

About N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 3196481) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
• PubChem CID: 3196481
• Molecular Formula: C25H27N3O4
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.20
• IUPAC Name: N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
• SMILES: COc1ccccc1CN(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1
• InChI: InChI=1S/C25H27N3O4/c1-31-21-12-5-2-8-19(21)17-28(25(30)22-13-7-15-32-22)23(18-9-6-14-26-16-18)24(29)27-20-10-3-4-11-20/h2,5-9,12-16,20,23H,3-4,10-11,17H2,1H3,(H,27,29)
• InChIKey: JBUSWEROOBHUDV-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (CID 3196481) is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccccc1CN(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1.

What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?

The InChIKey is JBUSWEROOBHUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-31-21-12-5-2-8-19(21)17-28(25(30)22-13-7-15-32-22)23(18-9-6-14-26-16-18)24(29)27-20-10-3-4-11-20/h2,5-9,12-16,20,23H,3-4,10-11,17H2,1H3,(H,27,29).

What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 3196481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).