3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide

C15H22BrN3O — CID 107518109

IUPAC3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
SMILESCC1CCN(CCCNC(=O)c2ncccc2Br)CC1
InChIInChI=1S/C15H22BrN3O/c1-12-5-10-19(11-6-12)9-3-8-18-15(20)14-13(16)4-2-7-17-14/h2,4,7,12H,3,5-6,8-11H2,1H3,(H,18,20)
InChIKeyMLZWEOXQKUZQKL-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.70
Rot. Bonds5

About 3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide

3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide (PubChem CID 107518109) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
PubChem CID107518109
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
SMILESCC1CCN(CCCNC(=O)c2ncccc2Br)CC1
InChIInChI=1S/C15H22BrN3O/c1-12-5-10-19(11-6-12)9-3-8-18-15(20)14-13(16)4-2-7-17-14/h2,4,7,12H,3,5-6,8-11H2,1H3,(H,18,20)
InChIKeyMLZWEOXQKUZQKL-UHFFFAOYSA-N
XLogP2.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-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

Related Compounds

N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
3-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-carboxamide
CID 107519431
N-[3-(4-methylpiperidin-1-yl)propyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56500520
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 35416141
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 81295151
3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
CID 107526349
3-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]pyridin-2-amine
CID 61375423
3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
CID 107843919
3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107519204
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide (CID 107518109) is 3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide is CC1CCN(CCCNC(=O)c2ncccc2Br)CC1.
What is the InChIKey of 3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide?
The InChIKey is MLZWEOXQKUZQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-12-5-10-19(11-6-12)9-3-8-18-15(20)14-13(16)4-2-7-17-14/h2,4,7,12H,3,5-6,8-11H2,1H3,(H,18,20).
What are the key properties of 3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide?
3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 107518109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).