N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C16H15FN4O2 — CID 56822521

IUPACN-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(COc1cccc(F)c1)NC(=O)c1ccc2nncn2c1
InChIInChI=1S/C16H15FN4O2/c1-11(9-23-14-4-2-3-13(17)7-14)19-16(22)12-5-6-15-20-18-10-21(15)8-12/h2-8,10-11H,9H2,1H3,(H,19,22)
InChIKeyGCIMOZMDRHICSR-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.07
Rot. Bonds5

About N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 56822521) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID56822521
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC NameN-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(COc1cccc(F)c1)NC(=O)c1ccc2nncn2c1
InChIInChI=1S/C16H15FN4O2/c1-11(9-23-14-4-2-3-13(17)7-14)19-16(22)12-5-6-15-20-18-10-21(15)8-12/h2-8,10-11H,9H2,1H3,(H,19,22)
InChIKeyGCIMOZMDRHICSR-UHFFFAOYSA-N
XLogP2.07
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]-3-(1,2,4-triazol-1-yl)benzamide
CID 95354401
2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid
CID 119182029
N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 95905642
N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3-pyrazol-1-ylpropanamide
CID 100662600
6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 58533730
(2R)-2-cyano-N-[(2S)-1-(3-fluorophenoxy)propan-2-yl]-3,3-dimethylbutanamide
CID 100971737
4-N,4-N-diethyl-1-N-[(2R)-1-(3-fluorophenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 52520848
1-(3-fluorophenoxy)-N-propan-2-ylpropan-2-amine
CID 115905482
1-(3-fluorophenoxy)propan-2-ylhydrazine
CID 82280988
propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 141411377
4-(aminomethyl)-N-[1-(3-methylphenoxy)propan-2-yl]benzamide
CID 119300010
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[1-(3-fluorophenoxy)propan-2-yl]urea
CID 167746140

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 56822521) is N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(COc1cccc(F)c1)NC(=O)c1ccc2nncn2c1.
What is the InChIKey of N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is GCIMOZMDRHICSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-11(9-23-14-4-2-3-13(17)7-14)19-16(22)12-5-6-15-20-18-10-21(15)8-12/h2-8,10-11H,9H2,1H3,(H,19,22).
What are the key properties of N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 56822521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).