5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide

C22H23N3O3 — CID 109188212

IUPAC5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCc3ccccc3C)nc2)c(OC)c1
InChIInChI=1S/C22H23N3O3/c1-15-6-4-5-7-16(15)13-24-22(26)20-10-8-17(14-23-20)25-19-11-9-18(27-2)12-21(19)28-3/h4-12,14,25H,13H2,1-3H3,(H,24,26)
InChIKeyVXQQLITYUHUJGW-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.08
Rot. Bonds7

About 5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide

5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109188212) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109188212
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCc3ccccc3C)nc2)c(OC)c1
InChIInChI=1S/C22H23N3O3/c1-15-6-4-5-7-16(15)13-24-22(26)20-10-8-17(14-23-20)25-19-11-9-18(27-2)12-21(19)28-3/h4-12,14,25H,13H2,1-3H3,(H,24,26)
InChIKeyVXQQLITYUHUJGW-UHFFFAOYSA-N
XLogP4.08
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190229
5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191813
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282254
5-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190194
5-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199779
ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109188236
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188273
5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188237
N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide
CID 109190188
N-(4-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200229
N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109190227
N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200228

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (CID 109188212) is 5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is COc1ccc(Nc2ccc(C(=O)NCc3ccccc3C)nc2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is VXQQLITYUHUJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-6-4-5-7-16(15)13-24-22(26)20-10-8-17(14-23-20)25-19-11-9-18(27-2)12-21(19)28-3/h4-12,14,25H,13H2,1-3H3,(H,24,26).
What are the key properties of 5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109188212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).