2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

C23H21N5OS — CID 8893060

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2cccnc2)c(C)c1
InChIInChI=1S/C23H21N5OS/c1-16-7-8-20(17(2)13-16)30-23-19(6-4-11-25-23)22(29)27-21-9-12-26-28(21)15-18-5-3-10-24-14-18/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyGZIKLRHDIQSORL-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.74
Rot. Bonds6

About 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 8893060) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID8893060
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2cccnc2)c(C)c1
InChIInChI=1S/C23H21N5OS/c1-16-7-8-20(17(2)13-16)30-23-19(6-4-11-25-23)22(29)27-21-9-12-26-28(21)15-18-5-3-10-24-14-18/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyGZIKLRHDIQSORL-UHFFFAOYSA-N
XLogP4.74
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8892613
2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 18775282
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55654288
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate
CID 4791741
2-(3,4-dimethylphenyl)sulfanyl-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8892796
2-(2,4-dimethylphenyl)sulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
CID 32625665
2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
CID 32615130
2-(2,4-dimethylphenyl)sulfanyl-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433755
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29325010
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55435410
N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 26727774

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide (CID 8893060) is 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2cccnc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is GZIKLRHDIQSORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-16-7-8-20(17(2)13-16)30-23-19(6-4-11-25-23)22(29)27-21-9-12-26-28(21)15-18-5-3-10-24-14-18/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 8893060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).