3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide

C21H21N3O3 — CID 113016106

IUPAC3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3C)nc2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-14-6-4-5-7-17(14)24-20-11-9-16(13-22-20)23-21(25)15-8-10-18(26-2)19(12-15)27-3/h4-13H,1-3H3,(H,22,24)(H,23,25)
InChIKeyQWFKKHWXFVOUOF-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.40
Rot. Bonds6

About 3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide

3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide (PubChem CID 113016106) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
PubChem CID113016106
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3C)nc2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-14-6-4-5-7-17(14)24-20-11-9-16(13-22-20)23-21(25)15-8-10-18(26-2)19(12-15)27-3/h4-13H,1-3H3,(H,22,24)(H,23,25)
InChIKeyQWFKKHWXFVOUOF-UHFFFAOYSA-N
XLogP4.40
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985880
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113032261
N-(3,4-dimethoxyphenyl)-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109164098
6-(3,4-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109162791
3-bromo-N-[6-(2-methoxyanilino)-3-pyridinyl]benzamide
CID 113019293
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113020111
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-methoxybenzamide
CID 113017268
methyl 4-[[6-(2-methoxyanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163865
N-[6-(3-cyanoanilino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113022770
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163500
6-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162615

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide (CID 113016106) is 3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccccc3C)nc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide?
The InChIKey is QWFKKHWXFVOUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-6-4-5-7-17(14)24-20-11-9-16(13-22-20)23-21(25)15-8-10-18(26-2)19(12-15)27-3/h4-13H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide?
3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113016106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).