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

C25H27N3O3 — CID 1469106

IUPACN-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)cc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1
InChIInChI=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-/m1/s1
InChIKeySRBLVPGKFHTEFV-HSZRJFAPSA-N
MW417.51 g/mol
LogP4.74
Rot. Bonds6

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

N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide (PubChem CID 1469106) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide
PubChem CID1469106
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)cc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1
InChIInChI=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-/m1/s1
InChIKeySRBLVPGKFHTEFV-HSZRJFAPSA-N
XLogP4.74
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide with MolForge

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Related Compounds

N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 1469105
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-phenylfuran-2-carboxamide
CID 3196554
N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211839
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 7145165
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7145162
N-(1,3-benzodioxol-5-yl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide
CID 3196538
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 3196514
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 1469065
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 3196515
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 5096296
N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 1469280
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 3196936

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide (CID 1469106) is N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[(1R)-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-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide?
The InChIKey is SRBLVPGKFHTEFV-HSZRJFAPSA-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-/m1/s1.
What are the key properties of N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide?
N-[(1R)-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-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(3,5-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 1469106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).