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

C26H29N3O3 — CID 3196547

IUPACN-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide
SMILESCC(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C26H29N3O3/c1-18(2)19-9-11-22(12-10-19)29(26(31)23-8-5-17-32-23)24(20-13-15-27-16-14-20)25(30)28-21-6-3-4-7-21/h5,8-18,21,24H,3-4,6-7H2,1-2H3,(H,28,30)
InChIKeyQZOQJNYGJWAZLJ-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.24
Rot. Bonds7

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

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide (PubChem CID 3196547) 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-4-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide
PubChem CID3196547
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide
SMILESCC(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
InChIInChI=1S/C26H29N3O3/c1-18(2)19-9-11-22(12-10-19)29(26(31)23-8-5-17-32-23)24(20-13-15-27-16-14-20)25(30)28-21-6-3-4-7-21/h5,8-18,21,24H,3-4,6-7H2,1-2H3,(H,28,30)
InChIKeyQZOQJNYGJWAZLJ-UHFFFAOYSA-N
XLogP5.24
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.24
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
N-[(Furan-2-Yl)Carbonyl]-(S)-Leucyl-(R)-[1-Amino-2(1h-Indol-3-Yl)Ethyl]-Phosphonic Acid
CID 449500
N-{2-Furan-2-yl-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 2874943
Furan-2-carboxamide deriv., 10
CID 44236897
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
SPHINX scaffold, 3
CID 73672854
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
N-{6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814197
N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814271
2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
N-{2-Furan-2-yl-1-[(pyridin-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5765254
N-[(1Z)-1-(furan-2-yl)-3-oxo-3-{[2-(pyridin-2-yl)ethyl]amino}prop-1-en-2-yl]benzamide
CID 5765256

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide (CID 3196547) is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide is CC(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccncc2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
The InChIKey is QZOQJNYGJWAZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-18(2)19-9-11-22(12-10-19)29(26(31)23-8-5-17-32-23)24(20-13-15-27-16-14-20)25(30)28-21-6-3-4-7-21/h5,8-18,21,24H,3-4,6-7H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 5.24, 7 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-4-ylethyl]-N-(4-propan-2-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3196547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).