N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide

C23H22ClN3O3 — CID 3196531

IUPACN-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccncc1)N(C(=O)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN3O3/c24-17-7-9-19(10-8-17)27(23(29)20-6-3-15-30-20)21(16-11-13-25-14-12-16)22(28)26-18-4-1-2-5-18/h3,6-15,18,21H,1-2,4-5H2,(H,26,28)
InChIKeyUBVIUOIHXVFSOQ-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.77
Rot. Bonds6

About N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide

N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide (PubChem CID 3196531) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide
PubChem CID3196531
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC NameN-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccncc1)N(C(=O)c1ccco1)c1ccc(Cl)cc1
InChIInChI=1S/C23H22ClN3O3/c24-17-7-9-19(10-8-17)27(23(29)20-6-3-15-30-20)21(16-11-13-25-14-12-16)22(28)26-18-4-1-2-5-18/h3,6-15,18,21H,1-2,4-5H2,(H,26,28)
InChIKeyUBVIUOIHXVFSOQ-UHFFFAOYSA-N
XLogP4.77
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
Furan-2-carboxamide deriv., 12
CID 44236898
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
CID 155289416
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
MAT-POS-f2460aef-1
CID 154878526
ALP-POS-02c6a514-44
CID 156906921
ALP-POS-b0bc6a46-5
CID 156906936
MAT-POS-f2460aef-4
CID 156907055
LON-WEI-2e27a2e5-1
CID 156907122
ALP-POS-02c6a514-57
CID 156906932

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide (CID 3196531) is N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide is O=C(NC1CCCC1)C(c1ccncc1)N(C(=O)c1ccco1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide?
The InChIKey is UBVIUOIHXVFSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c24-17-7-9-19(10-8-17)27(23(29)20-6-3-15-30-20)21(16-11-13-25-14-12-16)22(28)26-18-4-1-2-5-18/h3,6-15,18,21H,1-2,4-5H2,(H,26,28).
What are the key properties of N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide?
N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 3196531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).