N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide

C12H16BrN3O — CID 79160532

IUPACN-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cccc(Br)n2)CC1
InChIInChI=1S/C12H16BrN3O/c1-9-5-7-16(8-6-9)12(17)15-11-4-2-3-10(13)14-11/h2-4,9H,5-8H2,1H3,(H,14,15,17)
InChIKeyLAHCZBAQBPKLPA-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.11
Rot. Bonds1

About N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide

N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide (PubChem CID 79160532) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide
PubChem CID79160532
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC NameN-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cccc(Br)n2)CC1
InChIInChI=1S/C12H16BrN3O/c1-9-5-7-16(8-6-9)12(17)15-11-4-2-3-10(13)14-11/h2-4,9H,5-8H2,1H3,(H,14,15,17)
InChIKeyLAHCZBAQBPKLPA-UHFFFAOYSA-N
XLogP3.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-pyridin-2-ylpiperidine-1-carboxamide
CID 47266968
3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 79160380
N-(5-bromofuran-2-yl)-4-methylpiperidine-1-carboxamide
CID 108872818
N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide
CID 140776721
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide
CID 104620483
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
CID 43520512
4-methyl-N-pyrimidin-5-ylpiperidine-1-carboxamide
CID 104859349
N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide
CID 108901581
4-methyl-N-quinolin-3-ylpiperidine-1-carboxamide
CID 115582764

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide (CID 79160532) is N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2cccc(Br)n2)CC1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is LAHCZBAQBPKLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-9-5-7-16(8-6-9)12(17)15-11-4-2-3-10(13)14-11/h2-4,9H,5-8H2,1H3,(H,14,15,17).
What are the key properties of N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide?
N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 298.18 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79160532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).