6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide

C14H20BrN3O — CID 103916767

IUPAC6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
SMILESCCN1CCC(CNC(=O)c2cccc(Br)n2)CC1
InChIInChI=1S/C14H20BrN3O/c1-2-18-8-6-11(7-9-18)10-16-14(19)12-4-3-5-13(15)17-12/h3-5,11H,2,6-10H2,1H3,(H,16,19)
InChIKeyZRYWRPUWRDOPSH-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.31
Rot. Bonds4

About 6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide

6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 103916767) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
PubChem CID103916767
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
SMILESCCN1CCC(CNC(=O)c2cccc(Br)n2)CC1
InChIInChI=1S/C14H20BrN3O/c1-2-18-8-6-11(7-9-18)10-16-14(19)12-4-3-5-13(15)17-12/h3-5,11H,2,6-10H2,1H3,(H,16,19)
InChIKeyZRYWRPUWRDOPSH-UHFFFAOYSA-N
XLogP2.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]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

6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 62240688
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60855368
6-bromo-N-(thian-4-ylmethyl)pyridine-2-carboxamide
CID 103889926
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]benzamide
CID 61383553
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide
CID 103279976
6-bromo-N-[(2-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 113351463
2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide
CID 61383519
6-bromo-N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 103916664
2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide
CID 107075001
6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 62162133
methyl 6-(cyclohexylmethylcarbamoyl)pyridine-2-carboxylate
CID 170993372
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 103875005

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide (CID 103916767) is 6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide is CCN1CCC(CNC(=O)c2cccc(Br)n2)CC1.
What is the InChIKey of 6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is ZRYWRPUWRDOPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-2-18-8-6-11(7-9-18)10-16-14(19)12-4-3-5-13(15)17-12/h3-5,11H,2,6-10H2,1H3,(H,16,19).
What are the key properties of 6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide?
6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 103916767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).