1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C15H13FN2O — CID 3243885

IUPAC1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(Cc2cccc(F)c2)c(=O)c1C#N
InChIInChI=1S/C15H13FN2O/c1-10-6-11(2)18(15(19)14(10)8-17)9-12-4-3-5-13(16)7-12/h3-7H,9H2,1-2H3
InChIKeyDDUXHSKYHKASIU-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.52
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 3243885) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID3243885
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(Cc2cccc(F)c2)c(=O)c1C#N
InChIInChI=1S/C15H13FN2O/c1-10-6-11(2)18(15(19)14(10)8-17)9-12-4-3-5-13(16)7-12/h3-7H,9H2,1-2H3
InChIKeyDDUXHSKYHKASIU-UHFFFAOYSA-N
XLogP2.52
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
CID 2814576
4,6-Dimethyl-1-(2-methylbenzyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 5000326
1-Benzyl-6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 561750
6-(4-Fluorophenyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile
CID 1472839
1-Benzyl-1,2-dihydropyridin-2-one
CID 244078
2-Oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 260511
2-[(2-Oxo-4-pentyl-1-pyridinyl)methyl]benzonitrile
CID 127054018
1-Ethyl-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 1487453
3-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzonitrile
CID 2746452
2-(3-Cyano-2-oxo-6-p-tolyl-2H-pyridin-1-yl)-N,N-dimethyl-acetamide
CID 6488607
5-chloro-1-(2-fluorobenzyl)-2(1H)-pyridinone
CID 901046
2-Methyl-1-(4-methylbenzyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
CID 2763790

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 3243885) is 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(Cc2cccc(F)c2)c(=O)c1C#N.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is DDUXHSKYHKASIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-10-6-11(2)18(15(19)14(10)8-17)9-12-4-3-5-13(16)7-12/h3-7H,9H2,1-2H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 256.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 3243885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).