N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C16H14N4O2S — CID 96565965

IUPACN-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESC[S@](=O)c1ccc(NC(=O)c2cccc(-n3cccn3)n2)cc1
InChIInChI=1S/C16H14N4O2S/c1-23(22)13-8-6-12(7-9-13)18-16(21)14-4-2-5-15(19-14)20-11-3-10-17-20/h2-11H,1H3,(H,18,21)/t23-/m0/s1
InChIKeyIQNJSSAJFVMBEZ-QHCPKHFHSA-N
MW326.38 g/mol
LogP2.26
Rot. Bonds4

About N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 96565965) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID96565965
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESC[S@](=O)c1ccc(NC(=O)c2cccc(-n3cccn3)n2)cc1
InChIInChI=1S/C16H14N4O2S/c1-23(22)13-8-6-12(7-9-13)18-16(21)14-4-2-5-15(19-14)20-11-3-10-17-20/h2-11H,1H3,(H,18,21)/t23-/m0/s1
InChIKeyIQNJSSAJFVMBEZ-QHCPKHFHSA-N
XLogP2.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylsulfinylphenyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 71994536
N-(5-methyl-1H-pyrazol-3-yl)-6-pyrazol-1-ylpyridine-2-carboxamide
CID 146088918
6-fluoro-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 115497231
N-(2-amino-2-methylpropyl)-6-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119628163
N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 35275358
6-imidazol-1-yl-N-phenylpyridine-2-carboxamide
CID 97260029
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 122141115
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 96570332
N-[(2S)-2-methoxy-2-phenylethyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 99637282
3-cyclopropyl-2-[(6-pyrazol-1-ylpyridine-2-carbonyl)amino]propanoic acid
CID 120535926
N-(1-amino-4-methylpentan-2-yl)-6-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119587084
N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586962

Frequently Asked Questions

What is the IUPAC name of N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 96565965) is N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide is C[S@](=O)c1ccc(NC(=O)c2cccc(-n3cccn3)n2)cc1.
What is the InChIKey of N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is IQNJSSAJFVMBEZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-23(22)13-8-6-12(7-9-13)18-16(21)14-4-2-5-15(19-14)20-11-3-10-17-20/h2-11H,1H3,(H,18,21)/t23-/m0/s1.
What are the key properties of N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(S)-methylsulfinyl]phenyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 96565965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).