1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

C16H11Cl2N3O2S — CID 8698366

IUPAC1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H11Cl2N3O2S/c17-12-3-1-10(7-13(12)18)8-21-9-11(2-4-14(21)22)15(23)20-16-19-5-6-24-16/h1-7,9H,8H2,(H,19,20,23)
InChIKeyAEOICCMROAARMW-UHFFFAOYSA-N
MW380.26 g/mol
LogP3.91
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 8698366) has the molecular formula C16H11Cl2N3O2S and a molecular weight of 380.26 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID8698366
Molecular FormulaC16H11Cl2N3O2S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H11Cl2N3O2S/c17-12-3-1-10(7-13(12)18)8-21-9-11(2-4-14(21)22)15(23)20-16-19-5-6-24-16/h1-7,9H,8H2,(H,19,20,23)
InChIKeyAEOICCMROAARMW-UHFFFAOYSA-N
XLogP3.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-nitrophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 8698027
1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide
CID 8698359
1-[(3,4-dichlorophenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8698322
methyl 3-[[1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]thiophene-2-carboxylate
CID 1482953
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110383047
N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 176859928
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697563
2-[(2-chlorophenyl)methyl]-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 39042783
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818
5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 1482997
6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 92634575
6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110246993

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 8698366) is 1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nccs1)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is AEOICCMROAARMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2S/c17-12-3-1-10(7-13(12)18)8-21-9-11(2-4-14(21)22)15(23)20-16-19-5-6-24-16/h1-7,9H,8H2,(H,19,20,23).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 380.26 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 8698366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).