N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide

C24H23N5O — CID 99146934

IUPACN-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)c2cnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H23N5O/c1-2-19-10-12-20(13-11-19)17-28(18-21-7-6-14-25-15-21)24(30)23-16-26-29(27-23)22-8-4-3-5-9-22/h3-16H,2,17-18H2,1H3
InChIKeyCULIHYGERYIULC-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.07
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide

N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide (PubChem CID 99146934) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
PubChem CID99146934
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)c2cnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H23N5O/c1-2-19-10-12-20(13-11-19)17-28(18-21-7-6-14-25-15-21)24(30)23-16-26-29(27-23)22-8-4-3-5-9-22/h3-16H,2,17-18H2,1H3
InChIKeyCULIHYGERYIULC-UHFFFAOYSA-N
XLogP4.07
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75485191
N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide
CID 8891778
N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
CID 110691383
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 35541680
N-[(4-ethylphenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 75426702
N-butyl-N-methyl-2-phenyltriazole-4-carboxamide
CID 110702374
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-phenyltriazole-4-carboxamide
CID 51072889
N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 39738224
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide (CID 99146934) is N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide is CCc1ccc(CN(Cc2cccnc2)C(=O)c2cnn(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is CULIHYGERYIULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-2-19-10-12-20(13-11-19)17-28(18-21-7-6-14-25-15-21)24(30)23-16-26-29(27-23)22-8-4-3-5-9-22/h3-16H,2,17-18H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide?
N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 99146934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).