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

C20H22N4O3 — CID 51247773

IUPAC4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(OCC2CCCO2)cc1)c1nnc2ccccn12
InChIInChI=1S/C20H22N4O3/c1-14(19-23-22-18-6-2-3-11-24(18)19)21-20(25)15-7-9-16(10-8-15)27-13-17-5-4-12-26-17/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,21,25)
InChIKeyKGNNAMVSEFPOIJ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.78
Rot. Bonds6

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

4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (PubChem CID 51247773) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
PubChem CID51247773
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(OCC2CCCO2)cc1)c1nnc2ccccn12
InChIInChI=1S/C20H22N4O3/c1-14(19-23-22-18-6-2-3-11-24(18)19)21-20(25)15-7-9-16(10-8-15)27-13-17-5-4-12-26-17/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,21,25)
InChIKeyKGNNAMVSEFPOIJ-UHFFFAOYSA-N
XLogP2.78
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51208285
(2R)-4-methyl-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364558
[4-(oxolan-2-ylmethoxy)phenyl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42940692
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1R)-1-phenylpropyl]benzamide
CID 93234589
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N-[(1S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 97020635
4-(2-oxopiperidin-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51248036
4-[[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-(1-phenylethyl)benzamide
CID 54845998
4-(difluoromethylsulfanyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51326980
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55861969
[4-(oxolan-2-ylmethoxy)phenyl]-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 51328005
2-(4-methylphenoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 51247774

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (CID 51247773) is 4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is CC(NC(=O)c1ccc(OCC2CCCO2)cc1)c1nnc2ccccn12.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The InChIKey is KGNNAMVSEFPOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14(19-23-22-18-6-2-3-11-24(18)19)21-20(25)15-7-9-16(10-8-15)27-13-17-5-4-12-26-17/h2-3,6-11,14,17H,4-5,12-13H2,1H3,(H,21,25).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide has a molecular weight of 366.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 51247773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).