N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide

C24H24N6O4 — CID 155809822

IUPACN-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)Nc3cccnc3Nc3ccc(OC)cc3OC)nn2)cc1
InChIInChI=1S/C24H24N6O4/c1-32-17-8-6-16(7-9-17)14-30-15-21(28-29-30)24(31)27-20-5-4-12-25-23(20)26-19-11-10-18(33-2)13-22(19)34-3/h4-13,15H,14H2,1-3H3,(H,25,26)(H,27,31)
InChIKeyQHFPULLVZLQHER-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.74
Rot. Bonds9

About N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide

N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide (PubChem CID 155809822) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
PubChem CID155809822
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC NameN-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
SMILESCOc1ccc(Cn2cc(C(=O)Nc3cccnc3Nc3ccc(OC)cc3OC)nn2)cc1
InChIInChI=1S/C24H24N6O4/c1-32-17-8-6-16(7-9-17)14-30-15-21(28-29-30)24(31)27-20-5-4-12-25-23(20)26-19-11-10-18(33-2)13-22(19)34-3/h4-13,15H,14H2,1-3H3,(H,25,26)(H,27,31)
InChIKeyQHFPULLVZLQHER-UHFFFAOYSA-N
XLogP3.74
TPSA112.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-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-[2-(3,5-dimethoxyanilino)-3-pyridinyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 155814751
2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 90681003
[1-[(4-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone
CID 122221600
1-benzyl-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]triazole-4-carboxamide
CID 31858779
N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18141970
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide
CID 31031199
1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 18152035
1-benzyl-N-[2-(4-methylphenoxy)phenyl]triazole-4-carboxamide
CID 18152774
N-(2,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382358
2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109317827
1-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)triazole-4-carboxamide
CID 31031821

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide (CID 155809822) is N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide is COc1ccc(Cn2cc(C(=O)Nc3cccnc3Nc3ccc(OC)cc3OC)nn2)cc1.
What is the InChIKey of N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
The InChIKey is QHFPULLVZLQHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-32-17-8-6-16(7-9-17)14-30-15-21(28-29-30)24(31)27-20-5-4-12-25-23(20)26-19-11-10-18(33-2)13-22(19)34-3/h4-13,15H,14H2,1-3H3,(H,25,26)(H,27,31).
What are the key properties of N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide?
N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 155809822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).