N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide

C24H25N3O3 — CID 1469065

IUPACN-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
SMILESCc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c1
InChIInChI=1S/C24H25N3O3/c1-17-7-4-11-20(15-17)27(24(29)21-12-6-14-30-21)22(18-8-5-13-25-16-18)23(28)26-19-9-2-3-10-19/h4-8,11-16,19,22H,2-3,9-10H2,1H3,(H,26,28)/t22-/m0/s1
InChIKeyYMGQAWVJXJKRNK-QFIPXVFZSA-N
MW403.48 g/mol
LogP4.43
Rot. Bonds6

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

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide (PubChem CID 1469065) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
PubChem CID1469065
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
SMILESCc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c1
InChIInChI=1S/C24H25N3O3/c1-17-7-4-11-20(15-17)27(24(29)21-12-6-14-30-21)22(18-8-5-13-25-16-18)23(28)26-19-9-2-3-10-19/h4-8,11-16,19,22H,2-3,9-10H2,1H3,(H,26,28)/t22-/m0/s1
InChIKeyYMGQAWVJXJKRNK-QFIPXVFZSA-N
XLogP4.43
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 3196514
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 3196515
N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 1469055
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 3196499
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 3196519
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 1469105
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 1469106
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 647109
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 1469191
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-phenylfuran-2-carboxamide
CID 3196554
N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 1441687
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196708

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide (CID 1469065) is N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide is Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c1.
What is the InChIKey of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide?
The InChIKey is YMGQAWVJXJKRNK-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-7-4-11-20(15-17)27(24(29)21-12-6-14-30-21)22(18-8-5-13-25-16-18)23(28)26-19-9-2-3-10-19/h4-8,11-16,19,22H,2-3,9-10H2,1H3,(H,26,28)/t22-/m0/s1.
What are the key properties of N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide?
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.43, 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-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 1469065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).