2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide

C20H16BrClN2O3S — CID 55330294

IUPAC2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)c(OC)cc1Cl
InChIInChI=1S/C20H16BrClN2O3S/c1-26-17-11-16(18(27-2)10-15(17)22)24-19(25)14-4-3-9-23-20(14)28-13-7-5-12(21)6-8-13/h3-11H,1-2H3,(H,24,25)
InChIKeyOXPHSMYWHRYVRT-UHFFFAOYSA-N
MW479.78 g/mol
LogP5.92
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide

2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 55330294) has the molecular formula C20H16BrClN2O3S and a molecular weight of 479.78 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
PubChem CID55330294
Molecular FormulaC20H16BrClN2O3S
Molecular Weight479.78 g/mol
Exact Mass477.98
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)c(OC)cc1Cl
InChIInChI=1S/C20H16BrClN2O3S/c1-26-17-11-16(18(27-2)10-15(17)22)24-19(25)14-4-3-9-23-20(14)28-13-7-5-12(21)6-8-13/h3-11H,1-2H3,(H,24,25)
InChIKeyOXPHSMYWHRYVRT-UHFFFAOYSA-N
XLogP5.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.78
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]-3-methylbenzoate
CID 55538146
2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(propanoylamino)phenyl]pyridine-3-carboxamide
CID 55799391
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707
2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 103754076
2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide
CID 47100478
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-pentylsulfanylpyridine-3-carbonyl)amino]thiourea
CID 3691406
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 78813029
N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 9097470
N-(5-chloro-2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39964617
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
propan-2-yl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]acetate
CID 56550977
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide (CID 55330294) is 2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2cccnc2Sc2ccc(Br)cc2)c(OC)cc1Cl.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is OXPHSMYWHRYVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O3S/c1-26-17-11-16(18(27-2)10-15(17)22)24-19(25)14-4-3-9-23-20(14)28-13-7-5-12(21)6-8-13/h3-11H,1-2H3,(H,24,25).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide?
2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 479.78 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 55330294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).