1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide

C13H18BrN3O — CID 112698998

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ncc(Br)cc2C)CC1
InChIInChI=1S/C13H18BrN3O/c1-9-7-11(14)8-16-12(9)17-5-3-10(4-6-17)13(18)15-2/h7-8,10H,3-6H2,1-2H3,(H,15,18)
InChIKeyLAXYAVWHBOPRLT-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.11
Rot. Bonds2

About 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide

1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide (PubChem CID 112698998) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
PubChem CID112698998
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2ncc(Br)cc2C)CC1
InChIInChI=1S/C13H18BrN3O/c1-9-7-11(14)8-16-12(9)17-5-3-10(4-6-17)13(18)15-2/h7-8,10H,3-6H2,1-2H3,(H,15,18)
InChIKeyLAXYAVWHBOPRLT-UHFFFAOYSA-N
XLogP2.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-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

1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide
CID 133373806
1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359803
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974321
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171704130
N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80799087
5-bromo-2-[4-(chloromethyl)piperidin-1-yl]-3-methylpyridine
CID 79718248
1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 79076088
1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103194325
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 79718239

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide (CID 112698998) is 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2ncc(Br)cc2C)CC1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is LAXYAVWHBOPRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-9-7-11(14)8-16-12(9)17-5-3-10(4-6-17)13(18)15-2/h7-8,10H,3-6H2,1-2H3,(H,15,18).
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide?
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 112698998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).