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

C22H23N3O4 — CID 109190229

IUPAC5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCc3ccccc3OC)nc2)c(OC)c1
InChIInChI=1S/C22H23N3O4/c1-27-17-9-11-18(21(12-17)29-3)25-16-8-10-19(23-14-16)22(26)24-13-15-6-4-5-7-20(15)28-2/h4-12,14,25H,13H2,1-3H3,(H,24,26)
InChIKeyYNJCHWUYFTZKLL-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.78
Rot. Bonds8

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

5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109190229) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109190229
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)NCc3ccccc3OC)nc2)c(OC)c1
InChIInChI=1S/C22H23N3O4/c1-27-17-9-11-18(21(12-17)29-3)25-16-8-10-19(23-14-16)22(26)24-13-15-6-4-5-7-20(15)28-2/h4-12,14,25H,13H2,1-3H3,(H,24,26)
InChIKeyYNJCHWUYFTZKLL-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

5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188212
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282254
5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191813
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
N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109190227
N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide
CID 109190188
5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190232
2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 16955044
5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190233
N-(2,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190329
5-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190217

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109190229) is 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccc(Nc2ccc(C(=O)NCc3ccccc3OC)nc2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is YNJCHWUYFTZKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-17-9-11-18(21(12-17)29-3)25-16-8-10-19(23-14-16)22(26)24-13-15-6-4-5-7-20(15)28-2/h4-12,14,25H,13H2,1-3H3,(H,24,26).
What are the key properties of 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-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 5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109190229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).