1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide

C18H18FN5O — CID 75379898

IUPAC1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide
SMILESCC(C)N(C(=O)c1cn(Cc2cccc(F)c2)nn1)c1cccnc1
InChIInChI=1S/C18H18FN5O/c1-13(2)24(16-7-4-8-20-10-16)18(25)17-12-23(22-21-17)11-14-5-3-6-15(19)9-14/h3-10,12-13H,11H2,1-2H3
InChIKeyVUWOXXBZCCACAP-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.92
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide

1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide (PubChem CID 75379898) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide
PubChem CID75379898
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide
SMILESCC(C)N(C(=O)c1cn(Cc2cccc(F)c2)nn1)c1cccnc1
InChIInChI=1S/C18H18FN5O/c1-13(2)24(16-7-4-8-20-10-16)18(25)17-12-23(22-21-17)11-14-5-3-6-15(19)9-14/h3-10,12-13H,11H2,1-2H3
InChIKeyVUWOXXBZCCACAP-UHFFFAOYSA-N
XLogP2.92
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide
CID 109468181
N-(3-amino-2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide;hydrochloride
CID 119654212
1-[(3-fluorophenyl)methyl]-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]triazole-4-carboxamide
CID 97060940
N-[2-(ethylamino)ethyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119506466
N-(1-amino-4-methylpentan-2-yl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119586721
N-(3-aminopropyl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119406415
1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119531085
1-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289938
(2S)-2-[[1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]hexanoic acid
CID 120615410
1-benzyl-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 86824246
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide
CID 146123313
(2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]triazol-4-yl]methanone;hydrochloride
CID 120572401

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide (CID 75379898) is 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide is CC(C)N(C(=O)c1cn(Cc2cccc(F)c2)nn1)c1cccnc1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide?
The InChIKey is VUWOXXBZCCACAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-13(2)24(16-7-4-8-20-10-16)18(25)17-12-23(22-21-17)11-14-5-3-6-15(19)9-14/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide?
1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-propan-2-yl-N-pyridin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 75379898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).