6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide

C21H20N2OS — CID 53111039

IUPAC6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide
SMILESCSc1ccc(CNC(=O)c2ccc(-c3cccc(C)c3)nc2)cc1
InChIInChI=1S/C21H20N2OS/c1-15-4-3-5-17(12-15)20-11-8-18(14-22-20)21(24)23-13-16-6-9-19(25-2)10-7-16/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKeyNATPZYIWLWLZTE-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.71
Rot. Bonds5

About 6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide

6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 53111039) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide
PubChem CID53111039
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide
SMILESCSc1ccc(CNC(=O)c2ccc(-c3cccc(C)c3)nc2)cc1
InChIInChI=1S/C21H20N2OS/c1-15-4-3-5-17(12-15)20-11-8-18(14-22-20)21(24)23-13-16-6-9-19(25-2)10-7-16/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKeyNATPZYIWLWLZTE-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808
3-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46322434
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
3-iodo-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 47380861
3-(5-methyl-2-pyridinyl)-5-methylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 162600667
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-methylsulfanylbenzamide
CID 121022535
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320705
N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 91634104
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide (CID 53111039) is 6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide is CSc1ccc(CNC(=O)c2ccc(-c3cccc(C)c3)nc2)cc1.
What is the InChIKey of 6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is NATPZYIWLWLZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-15-4-3-5-17(12-15)20-11-8-18(14-22-20)21(24)23-13-16-6-9-19(25-2)10-7-16/h3-12,14H,13H2,1-2H3,(H,23,24).
What are the key properties of 6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide?
6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 53111039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).