N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide

C23H25N3O3 — CID 109198607

IUPACN-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
SMILESCCc1cccc(C)c1Nc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C23H25N3O3/c1-5-16-8-6-7-15(2)22(16)25-18-9-11-19(24-14-18)23(27)26-17-10-12-20(28-3)21(13-17)29-4/h6-14,25H,5H2,1-4H3,(H,26,27)
InChIKeyAJISGBSJHHOUAA-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.97
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide

N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide (PubChem CID 109198607) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
PubChem CID109198607
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
SMILESCCc1cccc(C)c1Nc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C23H25N3O3/c1-5-16-8-6-7-15(2)22(16)25-18-9-11-19(24-14-18)23(27)26-17-10-12-20(28-3)21(13-17)29-4/h6-14,25H,5H2,1-4H3,(H,26,27)
InChIKeyAJISGBSJHHOUAA-UHFFFAOYSA-N
XLogP4.97
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide (CID 109198607) is N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide is CCc1cccc(C)c1Nc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)nc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide?
The InChIKey is AJISGBSJHHOUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-5-16-8-6-7-15(2)22(16)25-18-9-11-19(24-14-18)23(27)26-17-10-12-20(28-3)21(13-17)29-4/h6-14,25H,5H2,1-4H3,(H,26,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide?
N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109198607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).