3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile

C23H15N5O — CID 154605029

IUPAC3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
SMILESCn1cnc2ccc(-c3cc4c(=O)cc[nH]c4nc3-c3cccc(C#N)c3)cc21
InChIInChI=1S/C23H15N5O/c1-28-13-26-19-6-5-15(10-20(19)28)17-11-18-21(29)7-8-25-23(18)27-22(17)16-4-2-3-14(9-16)12-24/h2-11,13H,1H3,(H,25,27,29)
InChIKeyXHKHJSYZSZUXTH-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.02
Rot. Bonds2

About 3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile

3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile (PubChem CID 154605029) has the molecular formula C23H15N5O and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
PubChem CID154605029
Molecular FormulaC23H15N5O
Molecular Weight377.41 g/mol
Exact Mass377.13
IUPAC Name3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
SMILESCn1cnc2ccc(-c3cc4c(=O)cc[nH]c4nc3-c3cccc(C#N)c3)cc21
InChIInChI=1S/C23H15N5O/c1-28-13-26-19-6-5-15(10-20(19)28)17-11-18-21(29)7-8-25-23(18)27-22(17)16-4-2-3-14(9-16)12-24/h2-11,13H,1H3,(H,25,27,29)
InChIKeyXHKHJSYZSZUXTH-UHFFFAOYSA-N
XLogP4.02
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1,3-benzothiazol-6-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154605008
6-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-[3-(1H-indazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile;6-(1-methyl-6-oxo-3-pyridinyl)-7-phenyl-1H-1,8-naphthyridin-4-one;3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 163656576
6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinoline-2-carbonitrile
CID 137438727
7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248
2-methyl-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604994
3-[2-(1,3-benzothiazol-6-yl)-8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl]benzonitrile
CID 154657223
7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438402
2-fluoro-3-(5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)benzonitrile
CID 154604858
4-oxo-7-[3-[6-(5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)cinnolin-3-yl]phenyl]-6-quinolin-6-yl-1H-1,8-naphthyridine-3-carbonitrile
CID 155170926
7-(5-methyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438504
6-imidazo[1,2-a]pyridin-6-yl-7-phenyl-1H-1,8-naphthyridin-4-one
CID 154604829
3-[3-(1,3-benzothiazol-6-yl)-7-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile
CID 154604929

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile?
The IUPAC name of 3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile (CID 154605029) is 3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile.
What is the SMILES notation for 3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile?
The canonical SMILES for 3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile is Cn1cnc2ccc(-c3cc4c(=O)cc[nH]c4nc3-c3cccc(C#N)c3)cc21.
What is the InChIKey of 3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile?
The InChIKey is XHKHJSYZSZUXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O/c1-28-13-26-19-6-5-15(10-20(19)28)17-11-18-21(29)7-8-25-23(18)27-22(17)16-4-2-3-14(9-16)12-24/h2-11,13H,1H3,(H,25,27,29).
What are the key properties of 3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile?
3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile has a molecular weight of 377.41 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylbenzimidazol-5-yl)-5-oxo-8H-1,8-naphthyridin-2-yl]benzonitrile is sourced from PubChem (CID 154605029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).