N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide

C19H19FN4O — CID 126794289

IUPACN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc2nnc(C3CCC3)n2c1)c1cccc(F)c1
InChIInChI=1S/C19H19FN4O/c1-12(14-6-3-7-15(20)10-14)19(25)21-16-8-9-17-22-23-18(24(17)11-16)13-4-2-5-13/h3,6-13H,2,4-5H2,1H3,(H,21,25)
InChIKeyOWCQPWCDHTZDJC-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.88
Rot. Bonds4

About N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide

N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide (PubChem CID 126794289) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide
PubChem CID126794289
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc2nnc(C3CCC3)n2c1)c1cccc(F)c1
InChIInChI=1S/C19H19FN4O/c1-12(14-6-3-7-15(20)10-14)19(25)21-16-8-9-17-22-23-18(24(17)11-16)13-4-2-5-13/h3,6-13H,2,4-5H2,1H3,(H,21,25)
InChIKeyOWCQPWCDHTZDJC-UHFFFAOYSA-N
XLogP3.88
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 136533507
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-[(1S)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]urea
CID 99793967
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 126785197
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 127944775
(2S)-N-(3-chlorophenyl)-2-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propanamide
CID 100850691
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
3-[4-[2-(3-fluorophenyl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120541256
2-(3-fluorophenyl)-N-piperidin-3-ylpropanamide
CID 119424683
2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
CID 106590704
1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone
CID 83893649
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)propan-2-one
CID 83893633

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide?
The IUPAC name of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide (CID 126794289) is N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide?
The canonical SMILES for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide is CC(C(=O)Nc1ccc2nnc(C3CCC3)n2c1)c1cccc(F)c1.
What is the InChIKey of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide?
The InChIKey is OWCQPWCDHTZDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-12(14-6-3-7-15(20)10-14)19(25)21-16-8-9-17-22-23-18(24(17)11-16)13-4-2-5-13/h3,6-13H,2,4-5H2,1H3,(H,21,25).
What are the key properties of N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide?
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide has a molecular weight of 338.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(3-fluorophenyl)propanamide is sourced from PubChem (CID 126794289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).