8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid

C20H14N2O2S — CID 141462578

IUPAC8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(-c2cncc3c2SC(C(=O)O)CC3)c2ccccc12
InChIInChI=1S/C20H14N2O2S/c21-9-12-5-7-16(15-4-2-1-3-14(12)15)17-11-22-10-13-6-8-18(20(23)24)25-19(13)17/h1-5,7,10-11,18H,6,8H2,(H,23,24)
InChIKeyOBLGKGQDJMVWPV-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.26
Rot. Bonds2

About 8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid

8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid (PubChem CID 141462578) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is 8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid
PubChem CID141462578
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC Name8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(-c2cncc3c2SC(C(=O)O)CC3)c2ccccc12
InChIInChI=1S/C20H14N2O2S/c21-9-12-5-7-16(15-4-2-1-3-14(12)15)17-11-22-10-13-6-8-18(20(23)24)25-19(13)17/h1-5,7,10-11,18H,6,8H2,(H,23,24)
InChIKeyOBLGKGQDJMVWPV-UHFFFAOYSA-N
XLogP4.26
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid with MolForge

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Related Compounds

8-(4-carboxynaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid
CID 141462551
2-[[4-(4-cyanonaphthalen-1-yl)-6-methyl-5H-isoquinolin-6-yl]sulfanyl]propanoic acid
CID 145158158
3-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic acid
CID 118902130
[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanylmethyl cyclobutanecarboxylate
CID 152709778
4-[2-(2-hydroxyethyl)thieno[3,2-c]pyridin-7-yl]naphthalene-1-carbonitrile
CID 134220468
2,3-dihydrothieno[3,2-c]pyridine-7-carbonitrile
CID 84651424
2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid
CID 68711598
methyl 3-[4-(4-cyanonaphthalen-1-yl)isoquinolin-6-yl]-2,2-dimethylpropanoate
CID 122582211
ethyl 3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]-2-methylpropanoate
CID 122582158
1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide
CID 11514656
lithium;(3R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoic acid;(3S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoic acid;ethyl 3-(7-bromothieno[3,2-c]pyridin-2-yl)butanoate;ethyl (3R)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;ethyl (3S)-3-[7-(4-cyanonaphthalen-1-yl)thieno[3,2-c]pyridin-2-yl]butanoate;methane;hydroxide
CID 158319811
4-[4-(3,3-difluoro-4-oxopentyl)sulfanyl-3-pyridinyl]naphthalene-1-carbonitrile
CID 130328145

Frequently Asked Questions

What is the IUPAC name of 8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid (CID 141462578) is 8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid is N#Cc1ccc(-c2cncc3c2SC(C(=O)O)CC3)c2ccccc12.
What is the InChIKey of 8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is OBLGKGQDJMVWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c21-9-12-5-7-16(15-4-2-1-3-14(12)15)17-11-22-10-13-6-8-18(20(23)24)25-19(13)17/h1-5,7,10-11,18H,6,8H2,(H,23,24).
What are the key properties of 8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid?
8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 346.41 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyanonaphthalen-1-yl)-3,4-dihydro-2H-thiopyrano[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 141462578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).