N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C17H16F2N4O3 — CID 134043805

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCC(NC(=O)Cn1nc2ccccn2c1=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16F2N4O3/c1-11(12-5-7-13(8-6-12)26-16(18)19)20-15(24)10-23-17(25)22-9-3-2-4-14(22)21-23/h2-9,11,16H,10H2,1H3,(H,20,24)
InChIKeyXTBGWWQTPDUIBH-UHFFFAOYSA-N
MW362.34 g/mol
LogP1.97
Rot. Bonds6

About N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 134043805) has the molecular formula C17H16F2N4O3 and a molecular weight of 362.34 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID134043805
Molecular FormulaC17H16F2N4O3
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCC(NC(=O)Cn1nc2ccccn2c1=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16F2N4O3/c1-11(12-5-7-13(8-6-12)26-16(18)19)20-15(24)10-23-17(25)22-9-3-2-4-14(22)21-23/h2-9,11,16H,10H2,1H3,(H,20,24)
InChIKeyXTBGWWQTPDUIBH-UHFFFAOYSA-N
XLogP1.97
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 134043805) is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is CC(NC(=O)Cn1nc2ccccn2c1=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is XTBGWWQTPDUIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3/c1-11(12-5-7-13(8-6-12)26-16(18)19)20-15(24)10-23-17(25)22-9-3-2-4-14(22)21-23/h2-9,11,16H,10H2,1H3,(H,20,24).
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 362.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 134043805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).