N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide

C16H18BrN3OS — CID 119582726

IUPACN-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide
SMILESCC(CN)N(C)C(=O)c1cccc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C16H18BrN3OS/c1-11(10-18)20(2)16(21)14-7-4-8-15(19-14)22-13-6-3-5-12(17)9-13/h3-9,11H,10,18H2,1-2H3
InChIKeyXXJOEFSDMJAYTL-UHFFFAOYSA-N
MW380.31 g/mol
LogP3.41
Rot. Bonds5

About N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide

N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide (PubChem CID 119582726) has the molecular formula C16H18BrN3OS and a molecular weight of 380.31 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide
PubChem CID119582726
Molecular FormulaC16H18BrN3OS
Molecular Weight380.31 g/mol
Exact Mass379.04
IUPAC NameN-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide
SMILESCC(CN)N(C)C(=O)c1cccc(Sc2cccc(Br)c2)n1
InChIInChI=1S/C16H18BrN3OS/c1-11(10-18)20(2)16(21)14-7-4-8-15(19-14)22-13-6-3-5-12(17)9-13/h3-9,11H,10,18H2,1-2H3
InChIKeyXXJOEFSDMJAYTL-UHFFFAOYSA-N
XLogP3.41
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide (CID 119582726) is N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide is CC(CN)N(C)C(=O)c1cccc(Sc2cccc(Br)c2)n1.
What is the InChIKey of N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide?
The InChIKey is XXJOEFSDMJAYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3OS/c1-11(10-18)20(2)16(21)14-7-4-8-15(19-14)22-13-6-3-5-12(17)9-13/h3-9,11H,10,18H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide?
N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide has a molecular weight of 380.31 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-6-(3-bromophenyl)sulfanyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 119582726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).