2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide

C20H24BrN3OS — CID 55514779

IUPAC2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCCCN1CCC(NC(=O)c2cccnc2Sc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H24BrN3OS/c1-2-12-24-13-9-16(10-14-24)23-19(25)18-4-3-11-22-20(18)26-17-7-5-15(21)6-8-17/h3-8,11,16H,2,9-10,12-14H2,1H3,(H,23,25)
InChIKeyLCMWSOARYOKVEO-UHFFFAOYSA-N
MW434.40 g/mol
LogP4.60
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide

2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 55514779) has the molecular formula C20H24BrN3OS and a molecular weight of 434.40 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID55514779
Molecular FormulaC20H24BrN3OS
Molecular Weight434.40 g/mol
Exact Mass433.08
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCCCN1CCC(NC(=O)c2cccnc2Sc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H24BrN3OS/c1-2-12-24-13-9-16(10-14-24)23-19(25)18-4-3-11-22-20(18)26-17-7-5-15(21)6-8-17/h3-8,11,16H,2,9-10,12-14H2,1H3,(H,23,25)
InChIKeyLCMWSOARYOKVEO-UHFFFAOYSA-N
XLogP4.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 134037313
2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide
CID 47100478
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 9118983
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
CID 55602413
2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide
CID 79722366
2-(4-bromophenyl)sulfanyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
CID 86968197
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(1-propylpiperidin-4-yl)benzamide
CID 55387259
2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 154774275
[2-(4-bromophenyl)sulfanyl-3-pyridinyl]-(4-ethoxypiperidin-1-yl)methanone
CID 55976720
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide (CID 55514779) is 2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide is CCCN1CCC(NC(=O)c2cccnc2Sc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is LCMWSOARYOKVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3OS/c1-2-12-24-13-9-16(10-14-24)23-19(25)18-4-3-11-22-20(18)26-17-7-5-15(21)6-8-17/h3-8,11,16H,2,9-10,12-14H2,1H3,(H,23,25).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 434.40 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 55514779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).