4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide

C22H18ClN5O3S — CID 73306063

IUPAC4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide
SMILESN#Cc1cc(-n2ccccc2=O)ccc1NC(=O)C1CC(NC(=O)c2ccc(Cl)s2)CN1
InChIInChI=1S/C22H18ClN5O3S/c23-19-7-6-18(32-19)22(31)26-14-10-17(25-12-14)21(30)27-16-5-4-15(9-13(16)11-24)28-8-2-1-3-20(28)29/h1-9,14,17,25H,10,12H2,(H,26,31)(H,27,30)
InChIKeyUETAYYNVKVPKKN-UHFFFAOYSA-N
MW467.94 g/mol
LogP2.52
Rot. Bonds5

About 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide

4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 73306063) has the molecular formula C22H18ClN5O3S and a molecular weight of 467.94 g/mol. Its IUPAC name is 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID73306063
Molecular FormulaC22H18ClN5O3S
Molecular Weight467.94 g/mol
Exact Mass467.08
IUPAC Name4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide
SMILESN#Cc1cc(-n2ccccc2=O)ccc1NC(=O)C1CC(NC(=O)c2ccc(Cl)s2)CN1
InChIInChI=1S/C22H18ClN5O3S/c23-19-7-6-18(32-19)22(31)26-14-10-17(25-12-14)21(30)27-16-5-4-15(9-13(16)11-24)28-8-2-1-3-20(28)29/h1-9,14,17,25H,10,12H2,(H,26,31)(H,27,30)
InChIKeyUETAYYNVKVPKKN-UHFFFAOYSA-N
XLogP2.52
TPSA116.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.94
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 69064791
(4S)-4-amino-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide
CID 70966240
5-chloro-N-[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]thiophene-2-carboxamide
CID 58826438
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]-1-(cyanomethyl)-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide
CID 87677680
(2S)-4-[(5-chlorothiophene-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 69123830
5-chloro-N-[(3S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42643176
5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide
CID 58826442
5-chloro-N-[(1R,2S,4S)-4-(methoxymethyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 69441318
5-chloro-N-[1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 45270763
5-chloro-N-[1-[(1R,2S,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-methoxycyclopentyl]ethenyl]thiophene-2-carboxamide
CID 143419910
5-chlorothiophene-2-carboxamide;(3R)-3-(cyclopropylmethoxy)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopentane-1-carboxamide
CID 143419889
5-chloro-N-[(3R,4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-propan-2-ylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 58748347

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide (CID 73306063) is 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide is N#Cc1cc(-n2ccccc2=O)ccc1NC(=O)C1CC(NC(=O)c2ccc(Cl)s2)CN1.
What is the InChIKey of 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is UETAYYNVKVPKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O3S/c23-19-7-6-18(32-19)22(31)26-14-10-17(25-12-14)21(30)27-16-5-4-15(9-13(16)11-24)28-8-2-1-3-20(28)29/h1-9,14,17,25H,10,12H2,(H,26,31)(H,27,30).
What are the key properties of 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide?
4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 467.94 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[2-cyano-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 73306063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).