N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide

C22H19N5O3S — CID 59406369

IUPACN-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cccc(-n3cc(-c4ccccn4)cn3)n2)cc1
InChIInChI=1S/C22H19N5O3S/c1-31(29,30)18-10-8-16(9-11-18)13-24-22(28)20-6-4-7-21(26-20)27-15-17(14-25-27)19-5-2-3-12-23-19/h2-12,14-15H,13H2,1H3,(H,24,28)
InChIKeyDMDLSJFUHPKSFW-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.66
Rot. Bonds6

About N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide

N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide (PubChem CID 59406369) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide
PubChem CID59406369
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cccc(-n3cc(-c4ccccn4)cn3)n2)cc1
InChIInChI=1S/C22H19N5O3S/c1-31(29,30)18-10-8-16(9-11-18)13-24-22(28)20-6-4-7-21(26-20)27-15-17(14-25-27)19-5-2-3-12-23-19/h2-12,14-15H,13H2,1H3,(H,24,28)
InChIKeyDMDLSJFUHPKSFW-UHFFFAOYSA-N
XLogP2.66
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[6-[(4-methylsulfonylphenyl)methylcarbamoyl]-2-pyridinyl]pyrazole-4-carboxylate
CID 59406494
6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 59406543
N-[(4-methylsulfonylphenyl)methyl]-4-(4-pyrimidin-4-ylpyrazol-1-yl)benzamide
CID 4085181
6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 59406527
N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 110794533
6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 59406324
N-[[4-(dimethylamino)phenyl]methyl]-6-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]pyrazol-4-yl]pyridine-2-carboxamide
CID 24737472
N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 110795964
2-methoxy-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine
CID 10286006
6-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 5065256
N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 141094510
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide (CID 59406369) is N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2cccc(-n3cc(-c4ccccn4)cn3)n2)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide?
The InChIKey is DMDLSJFUHPKSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-31(29,30)18-10-8-16(9-11-18)13-24-22(28)20-6-4-7-21(26-20)27-15-17(14-25-27)19-5-2-3-12-23-19/h2-12,14-15H,13H2,1H3,(H,24,28).
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide?
N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 59406369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).