2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide

C30H28N6O4 — CID 90681003

IUPAC2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)NCc2cn(Cc3cccc(Oc4ccccc4)c3)nn2)c(OC)c1
InChIInChI=1S/C30H28N6O4/c1-38-24-13-14-27(28(17-24)39-2)33-29-26(12-7-15-31-29)30(37)32-18-22-20-36(35-34-22)19-21-8-6-11-25(16-21)40-23-9-4-3-5-10-23/h3-17,20H,18-19H2,1-2H3,(H,31,33)(H,32,37)
InChIKeyIDHWRMSNKVNNPH-UHFFFAOYSA-N
MW536.59 g/mol
LogP5.20
Rot. Bonds11

About 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide

2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 90681003) has the molecular formula C30H28N6O4 and a molecular weight of 536.59 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
PubChem CID90681003
Molecular FormulaC30H28N6O4
Molecular Weight536.59 g/mol
Exact Mass536.22
IUPAC Name2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)NCc2cn(Cc3cccc(Oc4ccccc4)c3)nn2)c(OC)c1
InChIInChI=1S/C30H28N6O4/c1-38-24-13-14-27(28(17-24)39-2)33-29-26(12-7-15-31-29)30(37)32-18-22-20-36(35-34-22)19-21-8-6-11-25(16-21)40-23-9-4-3-5-10-23/h3-17,20H,18-19H2,1-2H3,(H,31,33)(H,32,37)
InChIKeyIDHWRMSNKVNNPH-UHFFFAOYSA-N
XLogP5.20
TPSA112.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.59
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]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

Related Compounds

2-(4-methoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 90681001
N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 118148754
2-(4-fluoroanilino)-N-[[1-[(3-methoxy-5-methylphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 118148774
2-[(4-chlorophenyl)methylamino]-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 118148766
N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 155809822
2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 55971022
2-methoxy-N-[(3-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 39576822
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
N-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193895
2-[4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698658
N-[2-(3,5-dimethoxyanilino)-3-pyridinyl]-1-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 155814751
4-[(1-benzyltriazol-4-yl)methylcarbamoylamino]-N-(4-phenoxyphenyl)benzamide
CID 66555296

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide (CID 90681003) is 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide is COc1ccc(Nc2ncccc2C(=O)NCc2cn(Cc3cccc(Oc4ccccc4)c3)nn2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is IDHWRMSNKVNNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O4/c1-38-24-13-14-27(28(17-24)39-2)33-29-26(12-7-15-31-29)30(37)32-18-22-20-36(35-34-22)19-21-8-6-11-25(16-21)40-23-9-4-3-5-10-23/h3-17,20H,18-19H2,1-2H3,(H,31,33)(H,32,37).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide?
2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 536.59 g/mol, XLogP of 5.20, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 90681003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).