3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one

C18H21N3O3 — CID 95977450

IUPAC3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
SMILESO=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCN2CCCC[C@H]2C1
InChIInChI=1S/C18H21N3O3/c22-17-14(6-7-15(19-17)16-5-3-11-24-16)18(23)21-10-9-20-8-2-1-4-13(20)12-21/h3,5-7,11,13H,1-2,4,8-10,12H2,(H,19,22)/t13-/m0/s1
InChIKeyUDGURGVIGAECES-ZDUSSCGKSA-N
MW327.38 g/mol
LogP1.95
Rot. Bonds2

About 3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one

3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one (PubChem CID 95977450) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
PubChem CID95977450
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
SMILESO=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCN2CCCC[C@H]2C1
InChIInChI=1S/C18H21N3O3/c22-17-14(6-7-15(19-17)16-5-3-11-24-16)18(23)21-10-9-20-8-2-1-4-13(20)12-21/h3,5-7,11,13H,1-2,4,8-10,12H2,(H,19,22)/t13-/m0/s1
InChIKeyUDGURGVIGAECES-ZDUSSCGKSA-N
XLogP1.95
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one with MolForge

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Related Compounds

3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 119410087
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-6-methyl-1H-pyridin-2-one
CID 128952319
6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
CID 119395633
3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
CID 119466891
3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95977327
3-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95174394
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
3-(4-cyclopentylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 86768773
4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56510199
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(4-hydroxy-2-methylphenyl)methanone
CID 103863739
6-(furan-2-yl)-3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-pyridin-2-one
CID 71883426
6-(dimethoxymethyl)-3-(3-pyrrolidin-1-ylazetidine-1-carbonyl)-1H-pyridin-2-one
CID 167852243

Frequently Asked Questions

What is the IUPAC name of 3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one (CID 95977450) is 3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one is O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCN2CCCC[C@H]2C1.
What is the InChIKey of 3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one?
The InChIKey is UDGURGVIGAECES-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17-14(6-7-15(19-17)16-5-3-11-24-16)18(23)21-10-9-20-8-2-1-4-13(20)12-21/h3,5-7,11,13H,1-2,4,8-10,12H2,(H,19,22)/t13-/m0/s1.
What are the key properties of 3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one?
3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one has a molecular weight of 327.38 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 95977450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).