N-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide

C16H13N3O3S — CID 87025249

IUPACN-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccnc3ccccc23)cn1
InChIInChI=1S/C16H13N3O3S/c1-23(21,22)15-7-6-11(10-18-15)19-16(20)13-8-9-17-14-5-3-2-4-12(13)14/h2-10H,1H3,(H,19,20)
InChIKeyJWCSUKSECFXUTN-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.29
Rot. Bonds3

About N-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide

N-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide (PubChem CID 87025249) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is N-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide
PubChem CID87025249
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC NameN-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2ccnc3ccccc23)cn1
InChIInChI=1S/C16H13N3O3S/c1-23(21,22)15-7-6-11(10-18-15)19-16(20)13-8-9-17-14-5-3-2-4-12(13)14/h2-10H,1H3,(H,19,20)
InChIKeyJWCSUKSECFXUTN-UHFFFAOYSA-N
XLogP2.29
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methylphenyl)quinoline-4-carboxamide
CID 78911729
N-(6-amino-3-pyridinyl)quinoline-5-carboxamide
CID 62901696
4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 47037064
N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide
CID 79012185
N-(1H-indazol-6-yl)quinoline-4-carboxamide
CID 110694915
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)quinoline-4-carboxamide
CID 134024983
2-bromo-4-chloro-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 103763941
5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 62000829
N-(4-methyl-3-nitrophenyl)quinoline-4-carboxamide
CID 134008354
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide
CID 112796034
3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 47212321

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of N-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide (CID 87025249) is N-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for N-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide is CS(=O)(=O)c1ccc(NC(=O)c2ccnc3ccccc23)cn1.
What is the InChIKey of N-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide?
The InChIKey is JWCSUKSECFXUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-23(21,22)15-7-6-11(10-18-15)19-16(20)13-8-9-17-14-5-3-2-4-12(13)14/h2-10H,1H3,(H,19,20).
What are the key properties of N-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide?
N-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-3-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 87025249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).