6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide

C15H15BrN2OS — CID 166213760

IUPAC6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C15H15BrN2OS/c1-10(2)17-15(19)13-7-4-8-14(18-13)20-12-6-3-5-11(16)9-12/h3-10H,1-2H3,(H,17,19)
InChIKeyFXZWAXGDXDOSNZ-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.13
Rot. Bonds4

About 6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide

6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 166213760) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide
PubChem CID166213760
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cccc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C15H15BrN2OS/c1-10(2)17-15(19)13-7-4-8-14(18-13)20-12-6-3-5-11(16)9-12/h3-10H,1-2H3,(H,17,19)
InChIKeyFXZWAXGDXDOSNZ-UHFFFAOYSA-N
XLogP4.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide
CID 119582726
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
methyl 6-(3-bromophenyl)sulfanylpyrazine-2-carboxylate
CID 66450002
2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
6-(3-bromophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 119551708
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
6-(3-bromophenyl)sulfanylpyridin-2-amine
CID 80652450
2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093772
6-(3-bromophenyl)sulfanyl-2-(2-methylpropoxy)pyridin-3-amine
CID 63536884
6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338989
2-N-(2,5-dichlorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093790
2-N-(3,4-difluorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093804

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide (CID 166213760) is 6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1cccc(Sc2cccc(Br)c2)n1.
What is the InChIKey of 6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is FXZWAXGDXDOSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-10(2)17-15(19)13-7-4-8-14(18-13)20-12-6-3-5-11(16)9-12/h3-10H,1-2H3,(H,17,19).
What are the key properties of 6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide?
6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 351.27 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)sulfanyl-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 166213760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).