3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one

C14H15N3O3 — CID 119410087

IUPAC3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
SMILESN[C@@H]1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1
InChIInChI=1S/C14H15N3O3/c15-9-5-6-17(8-9)14(19)10-3-4-11(16-13(10)18)12-2-1-7-20-12/h1-4,7,9H,5-6,8,15H2,(H,16,18)/t9-/m1/s1
InChIKeyYKXVZNQTRDMYPZ-SECBINFHSA-N
MW273.29 g/mol
LogP0.81
Rot. Bonds2

About 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one

3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one (PubChem CID 119410087) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
PubChem CID119410087
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
SMILESN[C@@H]1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1
InChIInChI=1S/C14H15N3O3/c15-9-5-6-17(8-9)14(19)10-3-4-11(16-13(10)18)12-2-1-7-20-12/h1-4,7,9H,5-6,8,15H2,(H,16,18)/t9-/m1/s1
InChIKeyYKXVZNQTRDMYPZ-SECBINFHSA-N
XLogP0.81
TPSA92.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
CID 119395633
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
3-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103816592
3-[(2R)-2-(2-fluorophenyl)morpholine-4-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95174394
[(3R)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119410101
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-(3-aminopyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 62068733
6-(furan-2-yl)-3-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1H-pyridin-2-one
CID 71883426
4-[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56510199
6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95337509
3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
CID 119381683

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one (CID 119410087) is 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one is N[C@@H]1CCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1.
What is the InChIKey of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one?
The InChIKey is YKXVZNQTRDMYPZ-SECBINFHSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-9-5-6-17(8-9)14(19)10-3-4-11(16-13(10)18)12-2-1-7-20-12/h1-4,7,9H,5-6,8,15H2,(H,16,18)/t9-/m1/s1.
What are the key properties of 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one?
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one has a molecular weight of 273.29 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 119410087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).