6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile

C17H15FN4O — CID 56788924

IUPAC6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile
SMILESCN(c1ccc(C#N)cn1)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C17H15FN4O/c1-21(16-7-6-12(10-19)11-20-16)15-8-9-22(17(15)23)14-5-3-2-4-13(14)18/h2-7,11,15H,8-9H2,1H3
InChIKeyPZFLJKONSOKFKT-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.33
Rot. Bonds3

About 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile

6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile (PubChem CID 56788924) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile
PubChem CID56788924
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile
SMILESCN(c1ccc(C#N)cn1)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C17H15FN4O/c1-21(16-7-6-12(10-19)11-20-16)15-8-9-22(17(15)23)14-5-3-2-4-13(14)18/h2-7,11,15H,8-9H2,1H3
InChIKeyPZFLJKONSOKFKT-UHFFFAOYSA-N
XLogP2.33
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one
CID 95624732
(3S)-1-(2-fluorophenyl)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]pyrrolidin-2-one
CID 97212785
(3R)-3-[(4-chloro-1-methylpyrazol-5-yl)methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 124619263
(3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one
CID 95623597
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile
CID 60706429
3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 95623647
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 120751933
1-(2-fluorophenyl)-3-[methyl(piperidin-3-ylmethyl)amino]pyrrolidin-2-one
CID 119931685
6-[(4,4-difluorocyclohexyl)-methylamino]pyridine-3-carbonitrile
CID 170765180
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxy-N-methylpiperidine-4-carboxamide
CID 119785248

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile (CID 56788924) is 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile is CN(c1ccc(C#N)cn1)C1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile?
The InChIKey is PZFLJKONSOKFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-21(16-7-6-12(10-19)11-20-16)15-8-9-22(17(15)23)14-5-3-2-4-13(14)18/h2-7,11,15H,8-9H2,1H3.
What are the key properties of 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile?
6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile has a molecular weight of 310.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 56788924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).