1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide

C21H24N2OS — CID 53051194

IUPAC1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCSc1cccc(NC(=O)C2=CCN(Cc3cccc(C)c3)CC2)c1
InChIInChI=1S/C21H24N2OS/c1-16-5-3-6-17(13-16)15-23-11-9-18(10-12-23)21(24)22-19-7-4-8-20(14-19)25-2/h3-9,13-14H,10-12,15H2,1-2H3,(H,22,24)
InChIKeyLRFQTCHJHOVIRY-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.49
Rot. Bonds5

About 1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide

1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 53051194) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID53051194
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCSc1cccc(NC(=O)C2=CCN(Cc3cccc(C)c3)CC2)c1
InChIInChI=1S/C21H24N2OS/c1-16-5-3-6-17(13-16)15-23-11-9-18(10-12-23)21(24)22-19-7-4-8-20(14-19)25-2/h3-9,13-14H,10-12,15H2,1-2H3,(H,22,24)
InChIKeyLRFQTCHJHOVIRY-UHFFFAOYSA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-2-methylphenyl)-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051206
1-[(3-methylphenyl)methyl]-N-(1-phenylethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051197
1-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 23609187
1-[(4-fluorophenyl)methyl]-N-(3-methoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20929937
N-[(2,5-difluorophenyl)methyl]-1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051196
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(3-methylsulfanylphenyl)benzamide
CID 1322771
2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 20921540
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3-methylsulfanylphenyl)benzamide
CID 43922873
1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20929946
1-[(3-fluorophenyl)methyl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53013550
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879
N-cyclohexyl-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051245

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 53051194) is 1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is CSc1cccc(NC(=O)C2=CCN(Cc3cccc(C)c3)CC2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is LRFQTCHJHOVIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-16-5-3-6-17(13-16)15-23-11-9-18(10-12-23)21(24)22-19-7-4-8-20(14-19)25-2/h3-9,13-14H,10-12,15H2,1-2H3,(H,22,24).
What are the key properties of 1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 53051194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).