N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide

C14H14N2OS — CID 5274904

IUPACN-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ncccc2S)cc1
InChIInChI=1S/C14H14N2OS/c1-10-4-6-11(7-5-10)9-16-14(17)13-12(18)3-2-8-15-13/h2-8,18H,9H2,1H3,(H,16,17)
InChIKeyGFKYDSDXFNBXIW-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.61
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide

N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide (PubChem CID 5274904) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide
PubChem CID5274904
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide
SMILESCc1ccc(CNC(=O)c2ncccc2S)cc1
InChIInChI=1S/C14H14N2OS/c1-10-4-6-11(7-5-10)9-16-14(17)13-12(18)3-2-8-15-13/h2-8,18H,9H2,1H3,(H,16,17)
InChIKeyGFKYDSDXFNBXIW-UHFFFAOYSA-N
XLogP2.61
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid
CID 62341325
3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 110122025
2-methyl-N-[(4-methylphenyl)methyl]-1,3-oxazole-5-carboxamide
CID 110702169
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
3-N-(4-methylphenyl)-2-N-[(4-pyridin-4-ylphenyl)methyl]pyrazine-2,3-dicarboxamide
CID 118716034
N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 47119370
ethane;N-[(4-methylphenyl)methylcarbamoyl]-2-sulfanylbenzamide
CID 142955508
2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844013
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256107
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
3-amino-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 104741972

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide (CID 5274904) is N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide is Cc1ccc(CNC(=O)c2ncccc2S)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide?
The InChIKey is GFKYDSDXFNBXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10-4-6-11(7-5-10)9-16-14(17)13-12(18)3-2-8-15-13/h2-8,18H,9H2,1H3,(H,16,17).
What are the key properties of N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide?
N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide is sourced from PubChem (CID 5274904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).