4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C16H13FN4O — CID 168585918

IUPAC4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(N(C)C)c(C#N)c2F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C16H13FN4O/c1-9-6-11(12(7-18)16(22)20-9)10-4-5-14(21(2)3)13(8-19)15(10)17/h4-6H,1-3H3,(H,20,22)
InChIKeyTYQMDGUWQZIOSI-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.30
Rot. Bonds2

About 4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585918) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585918
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(N(C)C)c(C#N)c2F)c(C#N)c(=O)[nH]1
InChIInChI=1S/C16H13FN4O/c1-9-6-11(12(7-18)16(22)20-9)10-4-5-14(21(2)3)13(8-19)15(10)17/h4-6H,1-3H3,(H,20,22)
InChIKeyTYQMDGUWQZIOSI-UHFFFAOYSA-N
XLogP2.30
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-fluoro-4-methyl-3-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586078
4-(3-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584512
4-(5-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584801
4-[3-(bromomethyl)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585480
4-(2-chloro-5-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587175
4-(3-bromo-2-fluoro-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585178
4-[4-iodo-2-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585845
4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586093
4-(4-fluoro-1H-indol-7-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585590
4-[2-[(dimethylamino)methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586524
4-(2-bromo-4-fluoro-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587182
4-[2-(difluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585529

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585918) is 4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(N(C)C)c(C#N)c2F)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is TYQMDGUWQZIOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-9-6-11(12(7-18)16(22)20-9)10-4-5-14(21(2)3)13(8-19)15(10)17/h4-6H,1-3H3,(H,20,22).
What are the key properties of 4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 296.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyano-4-(dimethylamino)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).