N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide

C22H23N3O4 — CID 55394070

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H23N3O4/c1-27-18-9-5-4-8-17(18)25-21-16(7-6-12-23-21)22(26)24-14-15-10-11-19(28-2)20(13-15)29-3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIJPUGDXHEZKOPR-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.78
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide (PubChem CID 55394070) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
PubChem CID55394070
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H23N3O4/c1-27-18-9-5-4-8-17(18)25-21-16(7-6-12-23-21)22(26)24-14-15-10-11-19(28-2)20(13-15)29-3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIJPUGDXHEZKOPR-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

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Related Compounds

2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 146096764
2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 55971022
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 23632978
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
CID 6621179
2-(2-methoxyanilino)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 31945919
2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide
CID 56524162
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632728
2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 51250549
N-(4-chlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632593

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide (CID 55394070) is N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide is COc1ccccc1Nc1ncccc1C(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is IJPUGDXHEZKOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-18-9-5-4-8-17(18)25-21-16(7-6-12-23-21)22(26)24-14-15-10-11-19(28-2)20(13-15)29-3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-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]-2-(2-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 55394070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).