1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide

C17H16FN5O — CID 42465768

IUPAC1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1ccncc1)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C17H16FN5O/c18-15-4-2-1-3-14(15)11-23-12-16(21-22-23)17(24)20-10-7-13-5-8-19-9-6-13/h1-6,8-9,12H,7,10-11H2,(H,20,24)
InChIKeyPOJOKBFZGLHEFK-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.83
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide

1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide (PubChem CID 42465768) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide
PubChem CID42465768
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1ccncc1)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C17H16FN5O/c18-15-4-2-1-3-14(15)11-23-12-16(21-22-23)17(24)20-10-7-13-5-8-19-9-6-13/h1-6,8-9,12H,7,10-11H2,(H,20,24)
InChIKeyPOJOKBFZGLHEFK-UHFFFAOYSA-N
XLogP1.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
CID 42291201
1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide
CID 24633183
1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide
CID 25289510
1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
CID 134046082
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 42358241
1-[(2,6-difluorophenyl)methyl]-N-[2-(2,3-dimethoxyphenyl)ethyl]triazole-4-carboxamide
CID 42287454
N,1-bis[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 42594376
N-(3-aminopropyl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119406415
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 25449687
ethyl (3S)-3-[[1-[(2-fluorophenyl)methyl]triazole-4-carbonyl]amino]butanoate
CID 95722583
N-(2-acetamidoethyl)-1-benzyltriazole-4-carboxamide
CID 35052567

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide (CID 42465768) is 1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide is O=C(NCCc1ccncc1)c1cn(Cc2ccccc2F)nn1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide?
The InChIKey is POJOKBFZGLHEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-15-4-2-1-3-14(15)11-23-12-16(21-22-23)17(24)20-10-7-13-5-8-19-9-6-13/h1-6,8-9,12H,7,10-11H2,(H,20,24).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide has a molecular weight of 325.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 42465768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).