2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide

C20H18N2OS — CID 55870685

IUPAC2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)c(C)n1
InChIInChI=1S/C20H18N2OS/c1-14-12-13-17(15(2)21-14)20(23)22-18-10-6-7-11-19(18)24-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,22,23)
InChIKeyDOSIEVSPAOFYLV-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.10
Rot. Bonds4

About 2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide

2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide (PubChem CID 55870685) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide
PubChem CID55870685
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)c(C)n1
InChIInChI=1S/C20H18N2OS/c1-14-12-13-17(15(2)21-14)20(23)22-18-10-6-7-11-19(18)24-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,22,23)
InChIKeyDOSIEVSPAOFYLV-UHFFFAOYSA-N
XLogP5.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 55873145
2-[2-[(2,6-dimethylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 62830254
3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740370
2,7-dimethyl-N-(2-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24655628
4-chloro-1,3-dimethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 19476882
4-bromo-1,3-dimethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 19480342
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 62829376
5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide
CID 3059478
4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 62830080
N-[2-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830087
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688
1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide
CID 51316560

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide (CID 55870685) is 2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide?
The InChIKey is DOSIEVSPAOFYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-14-12-13-17(15(2)21-14)20(23)22-18-10-6-7-11-19(18)24-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,22,23).
What are the key properties of 2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide?
2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 55870685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).