4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide

C20H18N2OS — CID 629079

IUPAC4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide
SMILESCSc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)c1C(N)=O
InChIInChI=1S/C20H18N2OS/c1-13-8-10-14(11-9-13)16-12-17(15-6-4-3-5-7-15)22-20(24-2)18(16)19(21)23/h3-12H,1-2H3,(H2,21,23)
InChIKeyYVCRCJLFVLIMFX-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.54
Rot. Bonds4

About 4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide

4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide (PubChem CID 629079) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide
PubChem CID629079
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide
SMILESCSc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)c1C(N)=O
InChIInChI=1S/C20H18N2OS/c1-13-8-10-14(11-9-13)16-12-17(15-6-4-3-5-7-15)22-20(24-2)18(16)19(21)23/h3-12H,1-2H3,(H2,21,23)
InChIKeyYVCRCJLFVLIMFX-UHFFFAOYSA-N
XLogP4.54
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)-2-methyl-4-phenylpyridine-3-carboxamide
CID 10426313
(Z)-2-methylsulfanyl-1-(2-methylsulfanyl-4-phenyl-6-thiophen-2-yl-3-pyridinyl)ethenamine
CID 131969445
4-methyl-6-phenylpyrimidine-2-carboxamide
CID 12562158
2,6-bis(4-methylphenyl)benzamide
CID 11301076
ethyl 2-(3-methylphenyl)-4,6-diphenylpyridine-3-carboxylate
CID 167433740
3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanoic acid
CID 53270290
5-methyl-6-(4-methylphenyl)-3-phenylpyridazine-4-carboxamide
CID 175967812
1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
CID 11450091
2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylacetamide
CID 3165371
2-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridine-3-carboxamide
CID 171987445
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
4-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]benzoic acid
CID 54333176

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide (CID 629079) is 4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide is CSc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)c1C(N)=O.
What is the InChIKey of 4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide?
The InChIKey is YVCRCJLFVLIMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-13-8-10-14(11-9-13)16-12-17(15-6-4-3-5-7-15)22-20(24-2)18(16)19(21)23/h3-12H,1-2H3,(H2,21,23).
What are the key properties of 4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide?
4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 629079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).