2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide

C22H23N3O3 — CID 109169645

IUPAC2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCc3ccccc3C)ccn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-15-6-4-5-7-17(15)14-24-22(26)16-10-11-23-21(12-16)25-18-8-9-19(27-2)20(13-18)28-3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRFVSKZSALQHZTK-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.08
Rot. Bonds7

About 2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide

2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 109169645) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID109169645
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCc3ccccc3C)ccn2)cc1OC
InChIInChI=1S/C22H23N3O3/c1-15-6-4-5-7-17(15)14-24-22(26)16-10-11-23-21(12-16)25-18-8-9-19(27-2)20(13-18)28-3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRFVSKZSALQHZTK-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

2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171065
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109170766
2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171051
2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide
CID 109173887
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109173888
2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172746
6-(3,4-dimethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368685
2-[(4-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169599
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113020114
N-(3-chloro-4-methoxyphenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169710
2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109170096
N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide (CID 109169645) is 2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide is COc1ccc(Nc2cc(C(=O)NCc3ccccc3C)ccn2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is RFVSKZSALQHZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-6-4-5-7-17(15)14-24-22(26)16-10-11-23-21(12-16)25-18-8-9-19(27-2)20(13-18)28-3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide?
2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-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 2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109169645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).