4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile

C17H15FN4O — CID 167845586

IUPAC4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cc(NC2CCN(Cc3ccc(F)cc3)C2=O)ccn1
InChIInChI=1S/C17H15FN4O/c18-13-3-1-12(2-4-13)11-22-8-6-16(17(22)23)21-14-5-7-20-15(9-14)10-19/h1-5,7,9,16H,6,8,11H2,(H,20,21)
InChIKeyCVEKTZRWRJIXTJ-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.31
Rot. Bonds4

About 4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile

4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile (PubChem CID 167845586) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
PubChem CID167845586
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1cc(NC2CCN(Cc3ccc(F)cc3)C2=O)ccn1
InChIInChI=1S/C17H15FN4O/c18-13-3-1-12(2-4-13)11-22-8-6-16(17(22)23)21-14-5-7-20-15(9-14)10-19/h1-5,7,9,16H,6,8,11H2,(H,20,21)
InChIKeyCVEKTZRWRJIXTJ-UHFFFAOYSA-N
XLogP2.31
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3R)-1-[(2,4-difluorophenyl)methyl]-2-oxopiperidin-3-yl]amino]pyridine-2-carbonitrile
CID 125138338
4-[[3-(1,6-naphthyridin-4-ylamino)-2-oxopyrrolidin-1-yl]methyl]benzonitrile
CID 167795158
2-(3,4-difluorophenyl)-N-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 124852787
(3S)-1-[(4-fluorophenyl)methyl]-3-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one
CID 129487277
1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 124623266
4-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 62924829
4-(oxan-4-ylamino)pyridine-2-carbonitrile
CID 62924649
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 119048382
N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 124734504
1-[(4-fluorophenyl)methyl]-3-[(3-methylimidazol-4-yl)methylamino]pyrrolidin-2-one
CID 122145629
3-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066411
4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 63887670

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile (CID 167845586) is 4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile is N#Cc1cc(NC2CCN(Cc3ccc(F)cc3)C2=O)ccn1.
What is the InChIKey of 4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The InChIKey is CVEKTZRWRJIXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-13-3-1-12(2-4-13)11-22-8-6-16(17(22)23)21-14-5-7-20-15(9-14)10-19/h1-5,7,9,16H,6,8,11H2,(H,20,21).
What are the key properties of 4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile has a molecular weight of 310.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 167845586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).