N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide

C22H23N3O4 — CID 109159951

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCc3ccc(OC)c(OC)c3)cn2)c1
InChIInChI=1S/C22H23N3O4/c1-27-18-6-4-5-17(12-18)25-21-10-8-16(14-23-21)22(26)24-13-15-7-9-19(28-2)20(11-15)29-3/h4-12,14H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyNOTAIGNUPXMUEE-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.78
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide (PubChem CID 109159951) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide
PubChem CID109159951
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCc3ccc(OC)c(OC)c3)cn2)c1
InChIInChI=1S/C22H23N3O4/c1-27-18-6-4-5-17(12-18)25-21-10-8-16(14-23-21)22(26)24-13-15-7-9-19(28-2)20(11-15)29-3/h4-12,14H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyNOTAIGNUPXMUEE-UHFFFAOYSA-N
XLogP3.78
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109237914
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
6-(2-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109159947
6-(2-cyanoanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109159955
6-(3-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157383
N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
6-(3-methoxyanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160850
6-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157978
2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide
CID 113048221
2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide
CID 109173887
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide (CID 109159951) is N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide is COc1cccc(Nc2ccc(C(=O)NCc3ccc(OC)c(OC)c3)cn2)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is NOTAIGNUPXMUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-18-6-4-5-17(12-18)25-21-10-8-16(14-23-21)22(26)24-13-15-7-9-19(28-2)20(11-15)29-3/h4-12,14H,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109159951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).