N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C16H14F2N4O2 — CID 154871578

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCC(NC(=O)c1cccn2cnnc12)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H14F2N4O2/c1-10(11-4-2-5-12(8-11)24-16(17)18)20-15(23)13-6-3-7-22-9-19-21-14(13)22/h2-10,16H,1H3,(H,20,23)
InChIKeyRBVFRCIGZGGBTF-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.82
Rot. Bonds5

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 154871578) has the molecular formula C16H14F2N4O2 and a molecular weight of 332.31 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID154871578
Molecular FormulaC16H14F2N4O2
Molecular Weight332.31 g/mol
Exact Mass332.11
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCC(NC(=O)c1cccn2cnnc12)c1cccc(OC(F)F)c1
InChIInChI=1S/C16H14F2N4O2/c1-10(11-4-2-5-12(8-11)24-16(17)18)20-15(23)13-6-3-7-22-9-19-21-14(13)22/h2-10,16H,1H3,(H,20,23)
InChIKeyRBVFRCIGZGGBTF-UHFFFAOYSA-N
XLogP2.82
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 118767768
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide
CID 42961731
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide
CID 42961734
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-methylbut-2-enamide
CID 94117441
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62789080
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenyltriazole-4-carboxamide
CID 46469924
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 63048536
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 55959876
2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 51727732
4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563120
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-2-enamide
CID 112727974
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55715513

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 154871578) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is CC(NC(=O)c1cccn2cnnc12)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is RBVFRCIGZGGBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2/c1-10(11-4-2-5-12(8-11)24-16(17)18)20-15(23)13-6-3-7-22-9-19-21-14(13)22/h2-10,16H,1H3,(H,20,23).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 332.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 154871578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).