3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide

C19H18N2O3S — CID 143518217

IUPAC3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide
SMILESCOOc1cc(-c2ccc(NC(=O)c3ccncc3C)cc2)c(C)s1
InChIInChI=1S/C19H18N2O3S/c1-12-11-20-9-8-16(12)19(22)21-15-6-4-14(5-7-15)17-10-18(24-23-3)25-13(17)2/h4-11H,1-3H3,(H,21,22)
InChIKeyJREDMYGLPJYGBM-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.62
Rot. Bonds5

About 3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide

3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide (PubChem CID 143518217) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide
PubChem CID143518217
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide
SMILESCOOc1cc(-c2ccc(NC(=O)c3ccncc3C)cc2)c(C)s1
InChIInChI=1S/C19H18N2O3S/c1-12-11-20-9-8-16(12)19(22)21-15-6-4-14(5-7-15)17-10-18(24-23-3)25-13(17)2/h4-11H,1-3H3,(H,21,22)
InChIKeyJREDMYGLPJYGBM-UHFFFAOYSA-N
XLogP4.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 146926080
3-methyl-N-[4-[2-methyl-5-(1,3-oxazol-4-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 11559715
N-[4-(2,5-dimethylphenyl)phenyl]-3-methylpyridine-4-carboxamide;N-[4-(2-methoxy-5-methylphenyl)phenyl]-3-methylpyridine-4-carboxamide;4-methylthiadiazole-5-carboxylic acid
CID 160525731
3-[4-(dimethylamino)-3-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]phenoxy]propanoic acid
CID 11750484
3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 25177362
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide
CID 143273458
N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide
CID 143518152
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 70338497
methyl 5-(3-methylphenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 147548466
4-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 81227052

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide (CID 143518217) is 3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide is COOc1cc(-c2ccc(NC(=O)c3ccncc3C)cc2)c(C)s1.
What is the InChIKey of 3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is JREDMYGLPJYGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-11-20-9-8-16(12)19(22)21-15-6-4-14(5-7-15)17-10-18(24-23-3)25-13(17)2/h4-11H,1-3H3,(H,21,22).
What are the key properties of 3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide?
3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 143518217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).