5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile

C24H20FN5 — CID 163475155

IUPAC5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile
SMILESC=C1C=Cc2cc(-c3cc(C)nc(N(C)C)c3)c(-c3ccc(F)c(C#N)c3)nc2N1
InChIInChI=1S/C24H20FN5/c1-14-5-6-17-11-20(18-9-15(2)27-22(12-18)30(3)4)23(29-24(17)28-14)16-7-8-21(25)19(10-16)13-26/h5-12H,1H2,2-4H3,(H,28,29)
InChIKeyWKSNZMDFQOQCMV-UHFFFAOYSA-N
MW397.46 g/mol
LogP5.15
Rot. Bonds3

About 5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile

5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile (PubChem CID 163475155) has the molecular formula C24H20FN5 and a molecular weight of 397.46 g/mol. Its IUPAC name is 5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile
PubChem CID163475155
Molecular FormulaC24H20FN5
Molecular Weight397.46 g/mol
Exact Mass397.17
IUPAC Name5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile
SMILESC=C1C=Cc2cc(-c3cc(C)nc(N(C)C)c3)c(-c3ccc(F)c(C#N)c3)nc2N1
InChIInChI=1S/C24H20FN5/c1-14-5-6-17-11-20(18-9-15(2)27-22(12-18)30(3)4)23(29-24(17)28-14)16-7-8-21(25)19(10-16)13-26/h5-12H,1H2,2-4H3,(H,28,29)
InChIKeyWKSNZMDFQOQCMV-UHFFFAOYSA-N
XLogP5.15
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 163664051
3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile
CID 163795945
3-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-5-oxo-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile
CID 154604835
5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile
CID 107936587
6-(2-chloro-6-methyl-4-pyridinyl)-7-(5-isocyano-1H-indol-2-yl)-2-methylidene-1H-1,8-naphthyridine
CID 163563378
2-fluoro-5-(4-methylphenyl)benzonitrile
CID 164513731
2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile
CID 155910711
3-[3-(7-chloro-1H-indazol-5-yl)-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-7-(4-fluorophenyl)-2-methylidene-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridine;6-[3-chloro-5-methyl-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridine;6-[3-chloro-4-(methylsulfonylmethyl)phenyl]-2-methylidene-7-phenyl-1H-1,8-naphthyridine
CID 163812996
3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile
CID 167011867
5-(4-chlorophenyl)-2-fluorobenzonitrile
CID 164513732
[4-[3-(3-cyano-4-fluorophenyl)-1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]-ethylcarbamic acid
CID 90465262
5-(1,5-diamino-2-tert-butylimidazol-4-yl)-2-fluorobenzonitrile
CID 107936700

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile?
The IUPAC name of 5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile (CID 163475155) is 5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile is C=C1C=Cc2cc(-c3cc(C)nc(N(C)C)c3)c(-c3ccc(F)c(C#N)c3)nc2N1.
What is the InChIKey of 5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile?
The InChIKey is WKSNZMDFQOQCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5/c1-14-5-6-17-11-20(18-9-15(2)27-22(12-18)30(3)4)23(29-24(17)28-14)16-7-8-21(25)19(10-16)13-26/h5-12H,1H2,2-4H3,(H,28,29).
What are the key properties of 5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile?
5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile has a molecular weight of 397.46 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 163475155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).