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

C23H22N6O3 — CID 56524162

IUPAC2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)c3cccnc3Nc3ccccc3OC)n2)cc1
InChIInChI=1S/C23H22N6O3/c1-31-16-11-9-15(10-12-16)21-27-20(28-29-21)14-25-23(30)17-6-5-13-24-22(17)26-18-7-3-4-8-19(18)32-2/h3-13H,14H2,1-2H3,(H,24,26)(H,25,30)(H,27,28,29)
InChIKeyQKQXIJOIJOZVMK-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.56
Rot. Bonds8

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

2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 56524162) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide
PubChem CID56524162
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)c3cccnc3Nc3ccccc3OC)n2)cc1
InChIInChI=1S/C23H22N6O3/c1-31-16-11-9-15(10-12-16)21-27-20(28-29-21)14-25-23(30)17-6-5-13-24-22(17)26-18-7-3-4-8-19(18)32-2/h3-13H,14H2,1-2H3,(H,24,26)(H,25,30)(H,27,28,29)
InChIKeyQKQXIJOIJOZVMK-UHFFFAOYSA-N
XLogP3.56
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 56523982
2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 51250549
2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 23632978
4-iodo-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56524317
2-hydroxy-4-methoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 25106894
2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 75508297
3-methoxy-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 56523615
4-(2-ethoxyphenoxy)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]butanamide
CID 56524435
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dipropoxybenzamide
CID 56524628
3-bromo-2-hydroxy-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5-methylbenzamide
CID 56527807

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide (CID 56524162) is 2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide is COc1ccc(-c2n[nH]c(CNC(=O)c3cccnc3Nc3ccccc3OC)n2)cc1.
What is the InChIKey of 2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is QKQXIJOIJOZVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-31-16-11-9-15(10-12-16)21-27-20(28-29-21)14-25-23(30)17-6-5-13-24-22(17)26-18-7-3-4-8-19(18)32-2/h3-13H,14H2,1-2H3,(H,24,26)(H,25,30)(H,27,28,29).
What are the key properties of 2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide?
2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 3.56, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 56524162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).