[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate

C22H19N3O2 — CID 91536421

IUPAC[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate
SMILESN#Cc1cccc(-c2nc(OC(=O)C3CCCCC3)cc3cccnc23)c1
InChIInChI=1S/C22H19N3O2/c23-14-15-6-4-9-17(12-15)21-20-18(10-5-11-24-20)13-19(25-21)27-22(26)16-7-2-1-3-8-16/h4-6,9-13,16H,1-3,7-8H2
InChIKeyVYWLPQZIWVLLMK-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.65
Rot. Bonds3

About [8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate

[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate (PubChem CID 91536421) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is [8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate
PubChem CID91536421
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate
SMILESN#Cc1cccc(-c2nc(OC(=O)C3CCCCC3)cc3cccnc23)c1
InChIInChI=1S/C22H19N3O2/c23-14-15-6-4-9-17(12-15)21-20-18(10-5-11-24-20)13-19(25-21)27-22(26)16-7-2-1-3-8-16/h4-6,9-13,16H,1-3,7-8H2
InChIKeyVYWLPQZIWVLLMK-UHFFFAOYSA-N
XLogP4.65
TPSA75.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
CID 10341658
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-1,7-naphthyridin-8-yl]benzonitrile
CID 10089791
2-[4-[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl]piperazin-1-yl]acetic acid
CID 10317223
3-quinolin-8-ylbenzonitrile
CID 4189045
3-(2-cyclopropyl-3-pyridinyl)benzonitrile
CID 22317919
6-cyclohexyl-8-(3-fluorophenyl)-1,7-naphthyridine
CID 141136121
S-quinolin-8-yl cyclohexanecarbothioate
CID 70789803
ethyl 4-[8-(3-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate
CID 69398748
potassium;hydride;pyridin-2-yl cyclobutanecarboxylate
CID 175231447
cyclopentyl(quinolin-8-yl)methanone
CID 81220027
(6-chloro-2-pyridinyl) cyclobutanecarboxylate
CID 174618359
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933

Frequently Asked Questions

What is the IUPAC name of [8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate?
The IUPAC name of [8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate (CID 91536421) is [8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate.
What is the SMILES notation for [8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate?
The canonical SMILES for [8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate is N#Cc1cccc(-c2nc(OC(=O)C3CCCCC3)cc3cccnc23)c1.
What is the InChIKey of [8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate?
The InChIKey is VYWLPQZIWVLLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c23-14-15-6-4-9-17(12-15)21-20-18(10-5-11-24-20)13-19(25-21)27-22(26)16-7-2-1-3-8-16/h4-6,9-13,16H,1-3,7-8H2.
What are the key properties of [8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate?
[8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate has a molecular weight of 357.41 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-cyanophenyl)-1,7-naphthyridin-6-yl] cyclohexanecarboxylate is sourced from PubChem (CID 91536421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).