N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide

C23H21N5O — CID 53123710

IUPACN-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
SMILESCCc1ccc(-n2nnc(C(=O)NCc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H21N5O/c1-2-17-8-10-20(11-9-17)28-22(19-12-14-24-15-13-19)21(26-27-28)23(29)25-16-18-6-4-3-5-7-18/h3-15H,2,16H2,1H3,(H,25,29)
InChIKeyGHHMUXQQFNFXDI-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.82
Rot. Bonds6

About N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide

N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide (PubChem CID 53123710) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
PubChem CID53123710
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
SMILESCCc1ccc(-n2nnc(C(=O)NCc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H21N5O/c1-2-17-8-10-20(11-9-17)28-22(19-12-14-24-15-13-19)21(26-27-28)23(29)25-16-18-6-4-3-5-7-18/h3-15H,2,16H2,1H3,(H,25,29)
InChIKeyGHHMUXQQFNFXDI-UHFFFAOYSA-N
XLogP3.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 122172046
1-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide
CID 45498528
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123694
N-[(2,4-difluorophenyl)methyl]-1-(3-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123691
1-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 53123737
N-benzyl-1-(4-methylsulfanylphenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125258
N-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123572
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-5-pyridin-4-yltriazole-4-carboxamide
CID 53123513
1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide
CID 53332564
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 45498531
N-butyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53036920
1-(4-fluoro-3-methylphenyl)-N-[(3-methoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide
CID 53123727

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide?
The IUPAC name of N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide (CID 53123710) is N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide is CCc1ccc(-n2nnc(C(=O)NCc3ccccc3)c2-c2ccncc2)cc1.
What is the InChIKey of N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide?
The InChIKey is GHHMUXQQFNFXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-2-17-8-10-20(11-9-17)28-22(19-12-14-24-15-13-19)21(26-27-28)23(29)25-16-18-6-4-3-5-7-18/h3-15H,2,16H2,1H3,(H,25,29).
What are the key properties of N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide?
N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 53123710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).