3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid

C19H14N2O2S — CID 118902130

IUPAC3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid
SMILESN#Cc1ccc(-c2cnccc2SCCC(=O)O)c2ccccc12
InChIInChI=1S/C19H14N2O2S/c20-11-13-5-6-16(15-4-2-1-3-14(13)15)17-12-21-9-7-18(17)24-10-8-19(22)23/h1-7,9,12H,8,10H2,(H,22,23)
InChIKeyWGNOVIMWPAZPKF-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.34
Rot. Bonds5

About 3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid

3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid (PubChem CID 118902130) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid.

Molecular Properties

Compound Name3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid
PubChem CID118902130
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid
SMILESN#Cc1ccc(-c2cnccc2SCCC(=O)O)c2ccccc12
InChIInChI=1S/C19H14N2O2S/c20-11-13-5-6-16(15-4-2-1-3-14(13)15)17-12-21-9-7-18(17)24-10-8-19(22)23/h1-7,9,12H,8,10H2,(H,22,23)
InChIKeyWGNOVIMWPAZPKF-UHFFFAOYSA-N
XLogP4.34
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid with MolForge

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Related Compounds

4-[4-(3,3-difluoro-4-oxopentyl)sulfanyl-3-pyridinyl]naphthalene-1-carbonitrile
CID 130328145
[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanylmethyl cyclobutanecarboxylate
CID 152709778
2-[(3-cyano-4-pyridinyl)sulfanyl]acetic acid
CID 131036257
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanoic acid
CID 19059695
2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 162662413
4-[[3-[(4-cyanonaphthalen-1-yl)-methylamino]-4-pyridinyl]sulfanylmethyl]-3-methoxybenzoate
CID 172638162
3-naphthalen-1-ylpyridine-4-carbonitrile
CID 45123369
3-(8-nitroisoquinolin-5-yl)sulfanylpropanoic acid
CID 43386295
1-[4-(4-cyanonaphthalen-1-yl)pyrimidin-5-yl]sulfanylcyclobutane-1-carboxylic acid
CID 70650356
4-[5-fluoro-2-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]phenyl]benzonitrile;methane;4-[4-(2-methylpentan-2-ylsulfanyl)-3-pyridinyl]naphthalene-1-carbonitrile;4-[4-[[1-(2-oxopropyl)cyclopropyl]methylsulfanyl]-3-pyridinyl]benzonitrile
CID 158879437
3-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]propanoic acid
CID 107059253
2-[[3-(4-cyanonaphthalen-1-yl)oxy-4-pyridinyl]sulfanyl]-2-methylpropanoate
CID 172675950

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid?
The IUPAC name of 3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid (CID 118902130) is 3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid.
What is the SMILES notation for 3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid?
The canonical SMILES for 3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid is N#Cc1ccc(-c2cnccc2SCCC(=O)O)c2ccccc12.
What is the InChIKey of 3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid?
The InChIKey is WGNOVIMWPAZPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c20-11-13-5-6-16(15-4-2-1-3-14(13)15)17-12-21-9-7-18(17)24-10-8-19(22)23/h1-7,9,12H,8,10H2,(H,22,23).
What are the key properties of 3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid?
3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid has a molecular weight of 334.40 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid is sourced from PubChem (CID 118902130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).