3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide

C16H22N6O2 — CID 46983881

IUPAC3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESO=C(CCN1CCCCO1)NCCc1nc(-c2cccnc2)n[nH]1
InChIInChI=1S/C16H22N6O2/c23-15(6-10-22-9-1-2-11-24-22)18-8-5-14-19-16(21-20-14)13-4-3-7-17-12-13/h3-4,7,12H,1-2,5-6,8-11H2,(H,18,23)(H,19,20,21)
InChIKeyQJAVZOYMNSVABB-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.94
Rot. Bonds7

About 3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide

3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 46983881) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID46983881
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESO=C(CCN1CCCCO1)NCCc1nc(-c2cccnc2)n[nH]1
InChIInChI=1S/C16H22N6O2/c23-15(6-10-22-9-1-2-11-24-22)18-8-5-14-19-16(21-20-14)13-4-3-7-17-12-13/h3-4,7,12H,1-2,5-6,8-11H2,(H,18,23)(H,19,20,21)
InChIKeyQJAVZOYMNSVABB-UHFFFAOYSA-N
XLogP0.94
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

5-oxo-5-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pentanoic acid
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3-(oxazinan-2-yl)-N-(3-pyridin-3-yloxypropyl)propanamide
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N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
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2-hydroxy-4-methylsulfanyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
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N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
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(5R)-3-methyl-2-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126427748
3-pyrazol-1-yl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 50949722
2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 72918252
(2S)-2-(azepan-1-yl)-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 97218734
(3R)-2-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95888750

Frequently Asked Questions

What is the IUPAC name of 3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 46983881) is 3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide is O=C(CCN1CCCCO1)NCCc1nc(-c2cccnc2)n[nH]1.
What is the InChIKey of 3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is QJAVZOYMNSVABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c23-15(6-10-22-9-1-2-11-24-22)18-8-5-14-19-16(21-20-14)13-4-3-7-17-12-13/h3-4,7,12H,1-2,5-6,8-11H2,(H,18,23)(H,19,20,21).
What are the key properties of 3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide?
3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 330.39 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxazinan-2-yl)-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 46983881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).