2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

C17H16F2N4O3 — CID 134030653

IUPAC2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2nnc3ccccn23)c1OC(F)F
InChIInChI=1S/C17H16F2N4O3/c1-10(15-22-21-13-8-3-4-9-23(13)15)20-16(24)11-6-5-7-12(25-2)14(11)26-17(18)19/h3-10,17H,1-2H3,(H,20,24)
InChIKeyLDGCFUAEXKCQSX-UHFFFAOYSA-N
MW362.34 g/mol
LogP2.83
Rot. Bonds6

About 2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (PubChem CID 134030653) has the molecular formula C17H16F2N4O3 and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
PubChem CID134030653
Molecular FormulaC17H16F2N4O3
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2nnc3ccccn23)c1OC(F)F
InChIInChI=1S/C17H16F2N4O3/c1-10(15-22-21-13-8-3-4-9-23(13)15)20-16(24)11-6-5-7-12(25-2)14(11)26-17(18)19/h3-10,17H,1-2H3,(H,20,24)
InChIKeyLDGCFUAEXKCQSX-UHFFFAOYSA-N
XLogP2.83
TPSA77.75 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-1-carboxamide
CID 47013032
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
1-(2-methoxyethyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-4-carboxamide
CID 97264554
(2S)-2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119238118
3-(3,4-dimethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 75357118
2-(difluoromethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 51150833
2-(difluoromethoxy)-3-methoxy-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
CID 55962117
1-methoxy-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoquinoline-3-carboxamide
CID 96543572
7-methoxy-4-oxo-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
CID 122714938
4-(difluoromethylsulfanyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51326980
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 42919862
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 134030701

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (CID 134030653) is 2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is COc1cccc(C(=O)NC(C)c2nnc3ccccn23)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The InChIKey is LDGCFUAEXKCQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3/c1-10(15-22-21-13-8-3-4-9-23(13)15)20-16(24)11-6-5-7-12(25-2)14(11)26-17(18)19/h3-10,17H,1-2H3,(H,20,24).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide has a molecular weight of 362.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 134030653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).