N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide

C19H18N2O3S — CID 46388701

IUPACN-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccnc2-c2ccc(C)s2)c1
InChIInChI=1S/C19H18N2O3S/c1-12-6-9-17(25-12)18-14(5-4-10-20-18)19(22)21-15-11-13(23-2)7-8-16(15)24-3/h4-11H,1-3H3,(H,21,22)
InChIKeyWLDCRESLEUBQDB-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.39
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide

N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide (PubChem CID 46388701) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide
PubChem CID46388701
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cccnc2-c2ccc(C)s2)c1
InChIInChI=1S/C19H18N2O3S/c1-12-6-9-17(25-12)18-14(5-4-10-20-18)19(22)21-15-11-13(23-2)7-8-16(15)24-3/h4-11H,1-3H3,(H,21,22)
InChIKeyWLDCRESLEUBQDB-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-yl)-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 18858869
N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 4882766
2-benzylsulfanyl-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 10339739
2-(1,3-benzothiazol-2-yl)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 18858904
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355
N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 966884
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361
3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866752
2-amino-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 55138314
3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 91722818
N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide (CID 46388701) is N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2cccnc2-c2ccc(C)s2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide?
The InChIKey is WLDCRESLEUBQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-6-9-17(25-12)18-14(5-4-10-20-18)19(22)21-15-11-13(23-2)7-8-16(15)24-3/h4-11H,1-3H3,(H,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(5-methylthiophen-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 46388701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).