N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide

C15H14N2O3S — CID 2087855

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14N2O3S/c1-21-15-11(3-2-6-16-15)14(18)17-10-4-5-12-13(9-10)20-8-7-19-12/h2-6,9H,7-8H2,1H3,(H,17,18)
InChIKeyBCHIIJFNHFLPNC-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.83
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2087855) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2087855
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H14N2O3S/c1-21-15-11(3-2-6-16-15)14(18)17-10-4-5-12-13(9-10)20-8-7-19-12/h2-6,9H,7-8H2,1H3,(H,17,18)
InChIKeyBCHIIJFNHFLPNC-UHFFFAOYSA-N
XLogP2.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)nicotinamide
CID 668900
N-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)nicotinamide
CID 852868
2-methylsulfanyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 2083057
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2433772
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2438676
N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide
CID 2471206
N1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridylthio)acetamide
CID 2824712
N-(2,3-Dihydro-7-nitro-1,4-benzodioxin-6-yl)-3-pyridinecarboxamide
CID 4132561
2-[(2,5-dimethoxyphenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 973898
2-{[4-(benzyloxy)phenyl]amino}-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 1258664
2-[N-ethyl-N-(3,4-methylenedioxyphenyl)amino]-4H-pyrido[3,2-e]-1,3-thiazin-4-one
CID 9840343
2-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 10453929

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide (CID 2087855) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is BCHIIJFNHFLPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-21-15-11(3-2-6-16-15)14(18)17-10-4-5-12-13(9-10)20-8-7-19-12/h2-6,9H,7-8H2,1H3,(H,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2087855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).