N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide

C17H14FN5O — CID 166371682

IUPACN-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide
SMILESO=C(NC1CC1)c1cccc(-n2cc(-c3ccncc3F)nn2)c1
InChIInChI=1S/C17H14FN5O/c18-15-9-19-7-6-14(15)16-10-23(22-21-16)13-3-1-2-11(8-13)17(24)20-12-4-5-12/h1-3,6-10,12H,4-5H2,(H,20,24)
InChIKeyVNCIAXAGZDKQGV-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.36
Rot. Bonds4

About N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide

N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide (PubChem CID 166371682) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide
PubChem CID166371682
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC NameN-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide
SMILESO=C(NC1CC1)c1cccc(-n2cc(-c3ccncc3F)nn2)c1
InChIInChI=1S/C17H14FN5O/c18-15-9-19-7-6-14(15)16-10-23(22-21-16)13-3-1-2-11(8-13)17(24)20-12-4-5-12/h1-3,6-10,12H,4-5H2,(H,20,24)
InChIKeyVNCIAXAGZDKQGV-UHFFFAOYSA-N
XLogP2.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide
CID 166371684
3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
CID 53170403
N-cyclopropyl-3-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277251
3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide
CID 146293961
N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide
CID 133112639
N-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide
CID 71544772
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 110899894
N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076294
N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide
CID 167903909
3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide
CID 146294026
N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide
CID 119475387
4-[4-[6-[1-(4-carboxy-3-hydroxyphenyl)triazol-4-yl]-4-(cyclopentylcarbamoyl)-2-pyridinyl]triazol-1-yl]-2-hydroxybenzoic acid
CID 139314616

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide (CID 166371682) is N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide is O=C(NC1CC1)c1cccc(-n2cc(-c3ccncc3F)nn2)c1.
What is the InChIKey of N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide?
The InChIKey is VNCIAXAGZDKQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c18-15-9-19-7-6-14(15)16-10-23(22-21-16)13-3-1-2-11(8-13)17(24)20-12-4-5-12/h1-3,6-10,12H,4-5H2,(H,20,24).
What are the key properties of N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide?
N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide has a molecular weight of 323.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide is sourced from PubChem (CID 166371682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).