2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide

C15H13BrN2OS — CID 47100478

IUPAC2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cccnc1Sc1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2OS/c16-10-3-7-12(8-4-10)20-15-13(2-1-9-17-15)14(19)18-11-5-6-11/h1-4,7-9,11H,5-6H2,(H,18,19)
InChIKeyXMVVGENMTKVTEA-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.89
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide

2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide (PubChem CID 47100478) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide
PubChem CID47100478
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cccnc1Sc1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2OS/c16-10-3-7-12(8-4-10)20-15-13(2-1-9-17-15)14(19)18-11-5-6-11/h1-4,7-9,11H,5-6H2,(H,18,19)
InChIKeyXMVVGENMTKVTEA-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 55514779
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
2-(4-bromophenyl)sulfanyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 78854403
2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
CID 55602413
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 47074740
N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 95304804
2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 154774275
N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide
CID 15994001
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 9118982
propan-2-yl 2-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]acetate
CID 56550977
2-(3,4-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 134037313

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide (CID 47100478) is 2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide is O=C(NC1CC1)c1cccnc1Sc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is XMVVGENMTKVTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c16-10-3-7-12(8-4-10)20-15-13(2-1-9-17-15)14(19)18-11-5-6-11/h1-4,7-9,11H,5-6H2,(H,18,19).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide?
2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 349.25 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 47100478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).