3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile

C14H11F2N3O — CID 107038073

IUPAC3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile
SMILESCn1cc(NCc2c(F)cc(C#N)cc2F)ccc1=O
InChIInChI=1S/C14H11F2N3O/c1-19-8-10(2-3-14(19)20)18-7-11-12(15)4-9(6-17)5-13(11)16/h2-5,8,18H,7H2,1H3
InChIKeyQSLMYMYEYLZBQZ-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.15
Rot. Bonds3

About 3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile

3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile (PubChem CID 107038073) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is 3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile
PubChem CID107038073
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile
SMILESCn1cc(NCc2c(F)cc(C#N)cc2F)ccc1=O
InChIInChI=1S/C14H11F2N3O/c1-19-8-10(2-3-14(19)20)18-7-11-12(15)4-9(6-17)5-13(11)16/h2-5,8,18H,7H2,1H3
InChIKeyQSLMYMYEYLZBQZ-UHFFFAOYSA-N
XLogP2.15
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chloroanilino)methyl]-3,5-difluorobenzonitrile
CID 107037544
4-[(4-ethoxyanilino)methyl]-3,5-difluorobenzonitrile
CID 107037464
5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one
CID 114842121
4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide
CID 107037509
4-[(4-bromo-3-methylanilino)methyl]-3,5-difluorobenzonitrile
CID 107037499
3,5-difluoro-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]benzonitrile
CID 107038344
3,5-difluoro-4-[(4-methoxy-3-methylanilino)methyl]benzonitrile
CID 107038187
4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-3,5-difluorobenzonitrile
CID 107039064
5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
CID 112606610
4-[(3-ethynylanilino)methyl]-3,5-difluorobenzonitrile
CID 107037418
4-[(3,5-dichloro-4-hydroxyanilino)methyl]-3,5-difluorobenzonitrile
CID 107679307
3,5-difluoro-4-[(3-nitroanilino)methyl]benzonitrile
CID 107037928

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile?
The IUPAC name of 3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile (CID 107038073) is 3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile.
What is the SMILES notation for 3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile?
The canonical SMILES for 3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile is Cn1cc(NCc2c(F)cc(C#N)cc2F)ccc1=O.
What is the InChIKey of 3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile?
The InChIKey is QSLMYMYEYLZBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c1-19-8-10(2-3-14(19)20)18-7-11-12(15)4-9(6-17)5-13(11)16/h2-5,8,18H,7H2,1H3.
What are the key properties of 3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile?
3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile has a molecular weight of 275.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile is sourced from PubChem (CID 107038073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).