N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide

C16H15FN4O3 — CID 71876746

IUPACN-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
SMILESCOc1cc(F)ccc1NC(=O)CCn1nc2ccccn2c1=O
InChIInChI=1S/C16H15FN4O3/c1-24-13-10-11(17)5-6-12(13)18-15(22)7-9-21-16(23)20-8-3-2-4-14(20)19-21/h2-6,8,10H,7,9H2,1H3,(H,18,22)
InChIKeyLHQDATKENYDJFG-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.67
Rot. Bonds5

About N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide

N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide (PubChem CID 71876746) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
PubChem CID71876746
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
SMILESCOc1cc(F)ccc1NC(=O)CCn1nc2ccccn2c1=O
InChIInChI=1S/C16H15FN4O3/c1-24-13-10-11(17)5-6-12(13)18-15(22)7-9-21-16(23)20-8-3-2-4-14(20)19-21/h2-6,8,10H,7,9H2,1H3,(H,18,22)
InChIKeyLHQDATKENYDJFG-UHFFFAOYSA-N
XLogP1.67
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide with MolForge

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Related Compounds

3-methyl-4-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoylamino]benzamide
CID 75420349
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55861984
N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 75395634
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 32609722
4-fluoro-N-[4-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 60537095
1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea
CID 47076648
N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 86926661
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide (CID 71876746) is N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide is COc1cc(F)ccc1NC(=O)CCn1nc2ccccn2c1=O.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
The InChIKey is LHQDATKENYDJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-24-13-10-11(17)5-6-12(13)18-15(22)7-9-21-16(23)20-8-3-2-4-14(20)19-21/h2-6,8,10H,7,9H2,1H3,(H,18,22).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide?
N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide has a molecular weight of 330.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide is sourced from PubChem (CID 71876746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).