N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide

C19H18N2O3S — CID 53149665

IUPACN-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3ccsc3)nc2)c1OC
InChIInChI=1S/C19H18N2O3S/c1-23-17-5-3-4-13(18(17)24-2)10-21-19(22)14-6-7-16(20-11-14)15-8-9-25-12-15/h3-9,11-12H,10H2,1-2H3,(H,21,22)
InChIKeyGZOSHBTYDBQTDY-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.76
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 53149665) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide
PubChem CID53149665
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3ccsc3)nc2)c1OC
InChIInChI=1S/C19H18N2O3S/c1-23-17-5-3-4-13(18(17)24-2)10-21-19(22)14-6-7-16(20-11-14)15-8-9-25-12-15/h3-9,11-12H,10H2,1-2H3,(H,21,22)
InChIKeyGZOSHBTYDBQTDY-UHFFFAOYSA-N
XLogP3.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149720
N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 91460435
3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596857
N-[(2,3-dimethoxyphenyl)methyl]-3-thiophen-3-yl-1,2,4-thiadiazol-5-amine
CID 75446240
N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 46590512
6-ethoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91630264
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide
CID 22588087
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46586870
6-ethoxy-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46488664
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
N-[(2,3-dimethoxyphenyl)methyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53148456

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide (CID 53149665) is N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide is COc1cccc(CNC(=O)c2ccc(-c3ccsc3)nc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is GZOSHBTYDBQTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-17-5-3-4-13(18(17)24-2)10-21-19(22)14-6-7-16(20-11-14)15-8-9-25-12-15/h3-9,11-12H,10H2,1-2H3,(H,21,22).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-6-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 53149665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).