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

C19H18FN5O — CID 166371684

IUPAC3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide
SMILESCC1(NC(=O)c2cccc(-n3cc(-c4ccncc4F)nn3)c2)CCC1
InChIInChI=1S/C19H18FN5O/c1-19(7-3-8-19)22-18(26)13-4-2-5-14(10-13)25-12-17(23-24-25)15-6-9-21-11-16(15)20/h2,4-6,9-12H,3,7-8H2,1H3,(H,22,26)
InChIKeyNDOQAGYKBVEIHX-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.14
Rot. Bonds4

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

3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide (PubChem CID 166371684) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide.

Molecular Properties

Compound Name3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide
PubChem CID166371684
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide
SMILESCC1(NC(=O)c2cccc(-n3cc(-c4ccncc4F)nn3)c2)CCC1
InChIInChI=1S/C19H18FN5O/c1-19(7-3-8-19)22-18(26)13-4-2-5-14(10-13)25-12-17(23-24-25)15-6-9-21-11-16(15)20/h2,4-6,9-12H,3,7-8H2,1H3,(H,22,26)
InChIKeyNDOQAGYKBVEIHX-UHFFFAOYSA-N
XLogP3.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]benzamide
CID 166371682
N-(1,3-dimethylcyclobutyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide
CID 167968311
1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea
CID 75506441
3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-(3-methylphenyl)benzamide
CID 146293961
2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide
CID 74244345
3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 118787820
3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide
CID 146294026
3-[1-[3-[(4-methylphenyl)sulfonylamino]phenyl]triazol-4-yl]pyridine-4-carboxylic acid
CID 175905249
3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195995
N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide;3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzamide
CID 158951052
methyl 5-[4-(2-fluoro-3-pyridinyl)triazol-1-yl]pyridine-3-carboxylate
CID 154848586
N-(cyclopentylmethyl)-3-[4-(1-methylpyrrolidin-2-yl)triazol-1-yl]benzamide
CID 167819480

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide?
The IUPAC name of 3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide (CID 166371684) is 3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide.
What is the SMILES notation for 3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide?
The canonical SMILES for 3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide is CC1(NC(=O)c2cccc(-n3cc(-c4ccncc4F)nn3)c2)CCC1.
What is the InChIKey of 3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide?
The InChIKey is NDOQAGYKBVEIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-19(7-3-8-19)22-18(26)13-4-2-5-14(10-13)25-12-17(23-24-25)15-6-9-21-11-16(15)20/h2,4-6,9-12H,3,7-8H2,1H3,(H,22,26).
What are the key properties of 3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide?
3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide has a molecular weight of 351.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluoro-4-pyridinyl)triazol-1-yl]-N-(1-methylcyclobutyl)benzamide is sourced from PubChem (CID 166371684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).