N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide

C25H27N3O3 — CID 1469105

About N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide (PubChem CID 1469105) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide
• PubChem CID: 1469105
• Molecular Formula: C25H27N3O3
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.21
• IUPAC Name: N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide
• SMILES: Cc1cc(C)cc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1
• InChI: InChI=1S/C25H27N3O3/c1-17-14-18(2)16-21(15-17)28(25(30)22-8-5-13-31-22)23(19-9-11-26-12-10-19)24(29)27-20-6-3-4-7-20/h5,8-16,20,23H,3-4,6-7H2,1-2H3,(H,27,29)/t23-/m0/s1
• InChIKey: SRBLVPGKFHTEFV-QHCPKHFHSA-N
• XLogP: 4.74
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide?

The IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide (CID 1469105) is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide.

What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide?

The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide is Cc1cc(C)cc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1.

What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide?

The InChIKey is SRBLVPGKFHTEFV-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17-14-18(2)16-21(15-17)28(25(30)22-8-5-13-31-22)23(19-9-11-26-12-10-19)24(29)27-20-6-3-4-7-20/h5,8-16,20,23H,3-4,6-7H2,1-2H3,(H,27,29)/t23-/m0/s1.

What are the key properties of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide?

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 1469105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).