5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide

C17H15ClN4O2S — CID 46989249

IUPAC5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1Sc1ccccc1NC(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C17H15ClN4O2S/c1-9-15(10(2)22-21-9)25-14-6-4-3-5-13(14)20-16(23)11-7-12(18)17(24)19-8-11/h3-8H,1-2H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyRBJJDHPASMELAD-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.77
Rot. Bonds4

About 5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 46989249) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID46989249
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1Sc1ccccc1NC(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C17H15ClN4O2S/c1-9-15(10(2)22-21-9)25-14-6-4-3-5-13(14)20-16(23)11-7-12(18)17(24)19-8-11/h3-8H,1-2H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyRBJJDHPASMELAD-UHFFFAOYSA-N
XLogP3.77
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 110861604
N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 110861200
5-chloro-6-oxo-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1H-pyridine-3-carboxamide
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5-chloro-N-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
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N-[2-(difluoromethylsulfanyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47321455
3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
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5-chloro-N-[4-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
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3-chloro-4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 103221338
5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide
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5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
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N-(2-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666365
5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide (CID 46989249) is 5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RBJJDHPASMELAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-9-15(10(2)22-21-9)25-14-6-4-3-5-13(14)20-16(23)11-7-12(18)17(24)19-8-11/h3-8H,1-2H3,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of 5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 374.85 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 46989249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).