N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide

C25H26N6O4 — CID 90681012

IUPACN-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)NCc2cn(Cc3cc(OC)cc(OC)c3)nn2)cc1
InChIInChI=1S/C25H26N6O4/c1-33-20-8-6-18(7-9-20)28-24-23(5-4-10-26-24)25(32)27-14-19-16-31(30-29-19)15-17-11-21(34-2)13-22(12-17)35-3/h4-13,16H,14-15H2,1-3H3,(H,26,28)(H,27,32)
InChIKeyNKXJQHJRMABDPS-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.42
Rot. Bonds10

About N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide

N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide (PubChem CID 90681012) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide
PubChem CID90681012
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC NameN-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)NCc2cn(Cc3cc(OC)cc(OC)c3)nn2)cc1
InChIInChI=1S/C25H26N6O4/c1-33-20-8-6-18(7-9-20)28-24-23(5-4-10-26-24)25(32)27-14-19-16-31(30-29-19)15-17-11-21(34-2)13-22(12-17)35-3/h4-13,16H,14-15H2,1-3H3,(H,26,28)(H,27,32)
InChIKeyNKXJQHJRMABDPS-UHFFFAOYSA-N
XLogP3.42
TPSA112.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-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

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide (CID 90681012) is N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2ncccc2C(=O)NCc2cn(Cc3cc(OC)cc(OC)c3)nn2)cc1.
What is the InChIKey of N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is NKXJQHJRMABDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-33-20-8-6-18(7-9-20)28-24-23(5-4-10-26-24)25(32)27-14-19-16-31(30-29-19)15-17-11-21(34-2)13-22(12-17)35-3/h4-13,16H,14-15H2,1-3H3,(H,26,28)(H,27,32).
What are the key properties of N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide?
N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-2-(4-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 90681012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).