3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile

C23H18FN5O — CID 154604835

IUPAC3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2cccc(C#N)c2F)cc(N(C)C)n1
InChIInChI=1S/C23H18FN5O/c1-13-9-15(10-20(27-13)29(2)3)17-11-18-19(30)7-8-26-23(18)28-22(17)16-6-4-5-14(12-25)21(16)24/h4-11H,1-3H3,(H,26,28,30)
InChIKeyPVNPAPQMSLZGBP-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.04
Rot. Bonds3

About 3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile

3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile (PubChem CID 154604835) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile
PubChem CID154604835
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile
SMILESCc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2cccc(C#N)c2F)cc(N(C)C)n1
InChIInChI=1S/C23H18FN5O/c1-13-9-15(10-20(27-13)29(2)3)17-11-18-19(30)7-8-26-23(18)28-22(17)16-6-4-5-14(12-25)21(16)24/h4-11H,1-3H3,(H,26,28,30)
InChIKeyPVNPAPQMSLZGBP-UHFFFAOYSA-N
XLogP4.04
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile with MolForge

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Related Compounds

2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604858
2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604994
6-(8-fluoro-4-methylquinolin-6-yl)-7-(2-fluorophenyl)-1H-1,8-naphthyridin-4-one
CID 137438796
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one
CID 137438212
6-(8-fluoro-4-methylquinolin-6-yl)-7-pyridin-4-yl-1H-1,8-naphthyridin-4-one
CID 137438169
6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoline-2-carbonitrile
CID 137438727
3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605029
3-[3-(1,3-benzothiazol-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605008
5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile
CID 163475155
3-[2-(5-chloro-6-oxo-1-propan-2-yl-3-pyridinyl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
CID 154656600
6-(2-chloro-6-methyl-4-pyridinyl)-3-fluoro-7-phenyl-1H-1,8-naphthyridin-4-one
CID 137438945
3-[2-(7-chloro-2-oxo-1,3-dihydroindol-5-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]-2-methylbenzonitrile
CID 154656504

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile?
The IUPAC name of 3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile (CID 154604835) is 3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile?
The canonical SMILES for 3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile is Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2cccc(C#N)c2F)cc(N(C)C)n1.
What is the InChIKey of 3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile?
The InChIKey is PVNPAPQMSLZGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c1-13-9-15(10-20(27-13)29(2)3)17-11-18-19(30)7-8-26-23(18)28-22(17)16-6-4-5-14(12-25)21(16)24/h4-11H,1-3H3,(H,26,28,30).
What are the key properties of 3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile?
3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile has a molecular weight of 399.43 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 154604835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).