N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide

C26H29N3O3 — CID 3196515

About N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide (PubChem CID 3196515) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
• PubChem CID: 3196515
• Molecular Formula: C26H29N3O3
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.22
• IUPAC Name: N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
• SMILES: Cc1cc(C)c(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c(C)c1
• InChI: InChI=1S/C26H29N3O3/c1-17-14-18(2)23(19(3)15-17)29(26(31)22-11-7-13-32-22)24(20-8-6-12-27-16-20)25(30)28-21-9-4-5-10-21/h6-8,11-16,21,24H,4-5,9-10H2,1-3H3,(H,28,30)
• InChIKey: TYBRTTBVHPXMKV-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?

The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide (CID 3196515) is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide.

What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?

The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide is Cc1cc(C)c(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c(C)c1.

What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?

The InChIKey is TYBRTTBVHPXMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-17-14-18(2)23(19(3)15-17)29(26(31)22-11-7-13-32-22)24(20-8-6-12-27-16-20)25(30)28-21-9-4-5-10-21/h6-8,11-16,21,24H,4-5,9-10H2,1-3H3,(H,28,30).

What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3196515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).