5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide

C21H20ClN3O2S — CID 58748157

IUPAC5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCN(c2ccc(-n3ccccc3=O)cc2)C1)c1ccc(Cl)s1
InChIInChI=1S/C21H20ClN3O2S/c22-19-9-8-18(28-19)21(27)23-13-15-10-12-24(14-15)16-4-6-17(7-5-16)25-11-2-1-3-20(25)26/h1-9,11,15H,10,12-14H2,(H,23,27)
InChIKeyQCTFQRPZBNQVBC-UHFFFAOYSA-N
MW413.93 g/mol
LogP3.81
Rot. Bonds5

About 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 58748157) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID58748157
Molecular FormulaC21H20ClN3O2S
Molecular Weight413.93 g/mol
Exact Mass413.10
IUPAC Name5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1CCN(c2ccc(-n3ccccc3=O)cc2)C1)c1ccc(Cl)s1
InChIInChI=1S/C21H20ClN3O2S/c22-19-9-8-18(28-19)21(27)23-13-15-10-12-24(14-15)16-4-6-17(7-5-16)25-11-2-1-3-20(25)26/h1-9,11,15H,10,12-14H2,(H,23,27)
InChIKeyQCTFQRPZBNQVBC-UHFFFAOYSA-N
XLogP3.81
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58618158
(3S)-3-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide
CID 58748279
5-bromo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 35201071
5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide
CID 67308477
N-[(3R)-1-acetyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidin-3-yl]-5-chlorothiophene-2-carboxamide
CID 58845319
1-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]piperidine-4-carboxylic acid
CID 59849056
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-[4-(2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide;methane
CID 159457229
3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid
CID 10003667
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide
CID 143722963
5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]thiophene-2-carboxamide
CID 72981087

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide (CID 58748157) is 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide is O=C(NCC1CCN(c2ccc(-n3ccccc3=O)cc2)C1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is QCTFQRPZBNQVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2S/c22-19-9-8-18(28-19)21(27)23-13-15-10-12-24(14-15)16-4-6-17(7-5-16)25-11-2-1-3-20(25)26/h1-9,11,15H,10,12-14H2,(H,23,27).
What are the key properties of 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 413.93 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 58748157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).