N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

C19H16N2OS — CID 9467826

IUPACN-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc2c(s1)-c1ccccc1CC2
InChIInChI=1S/C19H16N2OS/c22-19(21-12-13-4-3-9-20-11-13)17-10-15-8-7-14-5-1-2-6-16(14)18(15)23-17/h1-6,9-11H,7-8,12H2,(H,21,22)
InChIKeyRIDQJEFEBFPZTC-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.84
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (PubChem CID 9467826) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
PubChem CID9467826
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC NameN-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc2c(s1)-c1ccccc1CC2
InChIInChI=1S/C19H16N2OS/c22-19(21-12-13-4-3-9-20-11-13)17-10-15-8-7-14-5-1-2-6-16(14)18(15)23-17/h1-6,9-11H,7-8,12H2,(H,21,22)
InChIKeyRIDQJEFEBFPZTC-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dioxo-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602416
N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 29204192
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 47058687
N-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 1490444
4,5-dihydrobenzo[g][1]benzothiole-2-carbonylsulfamic acid
CID 137370062
5-cyclopropyl-N-(pyridin-3-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
CID 53171080
N-(3-hydroxy-2-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 18109304
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
4-oxo-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 90764881
2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171914
4,5-dihydrobenzo[g][1]benzothiol-2-yl-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 42921875
N'-methylsulfonyl-4,5-dihydrobenzo[g][1]benzothiole-2-carbohydrazide
CID 3683314

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (CID 9467826) is N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is O=C(NCc1cccnc1)c1cc2c(s1)-c1ccccc1CC2.
What is the InChIKey of N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The InChIKey is RIDQJEFEBFPZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c22-19(21-12-13-4-3-9-20-11-13)17-10-15-8-7-14-5-1-2-6-16(14)18(15)23-17/h1-6,9-11H,7-8,12H2,(H,21,22).
What are the key properties of N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is sourced from PubChem (CID 9467826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).