N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide

C24H23ClN6O2 — CID 118148754

IUPACN-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1Nc1ncccc1C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1
InChIInChI=1S/C24H23ClN6O2/c1-16-5-10-22(33-2)21(12-16)28-23-20(4-3-11-26-23)24(32)27-13-19-15-31(30-29-19)14-17-6-8-18(25)9-7-17/h3-12,15H,13-14H2,1-2H3,(H,26,28)(H,27,32)
InChIKeyLZYXATTZEFFUMY-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.37
Rot. Bonds8

About N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide

N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide (PubChem CID 118148754) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
PubChem CID118148754
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1Nc1ncccc1C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1
InChIInChI=1S/C24H23ClN6O2/c1-16-5-10-22(33-2)21(12-16)28-23-20(4-3-11-26-23)24(32)27-13-19-15-31(30-29-19)14-17-6-8-18(25)9-7-17/h3-12,15H,13-14H2,1-2H3,(H,26,28)(H,27,32)
InChIKeyLZYXATTZEFFUMY-UHFFFAOYSA-N
XLogP4.37
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-chlorophenyl)methylamino]-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 118148766
2-(2,4-dimethoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 90681003
2-(4-fluoroanilino)-N-[[1-[(3-methoxy-5-methylphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 118148774
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
2-(4-methoxyanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 90681001
1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one
CID 178064932
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996326
methyl 4-[[4-[[[3-[[1-[(4-methoxycarbonylphenyl)methyl]triazol-4-yl]methylcarbamoyl]-5-methylbenzoyl]amino]methyl]triazol-1-yl]methyl]benzoate
CID 177434929
N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide
CID 155816547
N-(4-chlorophenyl)-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 23632593
N-[2-(2,4-dimethoxyanilino)-3-pyridinyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 155809822
1-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 25458811

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide (CID 118148754) is N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide is COc1ccc(C)cc1Nc1ncccc1C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide?
The InChIKey is LZYXATTZEFFUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-16-5-10-22(33-2)21(12-16)28-23-20(4-3-11-26-23)24(32)27-13-19-15-31(30-29-19)14-17-6-8-18(25)9-7-17/h3-12,15H,13-14H2,1-2H3,(H,26,28)(H,27,32).
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide?
N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide has a molecular weight of 462.94 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 118148754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).