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

C20H22N4O3 — CID 51208285

IUPAC4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESO=C(NCCc1nnc2ccccn12)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C20H22N4O3/c25-20(21-11-10-19-23-22-18-5-1-2-12-24(18)19)15-6-8-16(9-7-15)27-14-17-4-3-13-26-17/h1-2,5-9,12,17H,3-4,10-11,13-14H2,(H,21,25)
InChIKeyRHWBEXXDJVHEQY-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.26
Rot. Bonds7

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

4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (PubChem CID 51208285) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
PubChem CID51208285
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESO=C(NCCc1nnc2ccccn12)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C20H22N4O3/c25-20(21-11-10-19-23-22-18-5-1-2-12-24(18)19)15-6-8-16(9-7-15)27-14-17-4-3-13-26-17/h1-2,5-9,12,17H,3-4,10-11,13-14H2,(H,21,25)
InChIKeyRHWBEXXDJVHEQY-UHFFFAOYSA-N
XLogP2.26
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247773
2-[[(2S)-oxolan-2-yl]methoxy]-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 124559872
4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 95317070
[4-(oxolan-2-ylmethoxy)phenyl]-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42940692
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 51153011
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-3-carboxamide
CID 46516662
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
1-ethyl-2-(oxolan-2-ylmethyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111136494
N'-methyl-4-(oxan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-1-carboximidamide
CID 109450041
N-[2-(2-nitroanilino)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 51221373
4-methyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-3-carboxamide
CID 172672246
5-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2,5-dicarboxamide
CID 86858578

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (CID 51208285) is 4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is O=C(NCCc1nnc2ccccn12)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The InChIKey is RHWBEXXDJVHEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-20(21-11-10-19-23-22-18-5-1-2-12-24(18)19)15-6-8-16(9-7-15)27-14-17-4-3-13-26-17/h1-2,5-9,12,17H,3-4,10-11,13-14H2,(H,21,25).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide has a molecular weight of 366.42 g/mol, XLogP of 2.26, 7 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-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 51208285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).