1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide

C13H16BrN3O2 — CID 103754069

IUPAC1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cccnc2Br)CC1
InChIInChI=1S/C13H16BrN3O2/c1-15-12(18)9-4-7-17(8-5-9)13(19)10-3-2-6-16-11(10)14/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyXURGVNAXTGDSIX-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.44
Rot. Bonds2

About 1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide

1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 103754069) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide
PubChem CID103754069
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2cccnc2Br)CC1
InChIInChI=1S/C13H16BrN3O2/c1-15-12(18)9-4-7-17(8-5-9)13(19)10-3-2-6-16-11(10)14/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,18)
InChIKeyXURGVNAXTGDSIX-UHFFFAOYSA-N
XLogP1.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 39507171
1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 103755201
N-[1-(2-bromopyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 103754574
(2-bromo-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 103752661
1-(5-bromo-2-hydroxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 47142739
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 26978473
(2-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103755683
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 103194984
(2-bromo-3-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103752797

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide (CID 103754069) is 1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2cccnc2Br)CC1.
What is the InChIKey of 1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is XURGVNAXTGDSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-15-12(18)9-4-7-17(8-5-9)13(19)10-3-2-6-16-11(10)14/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,18).
What are the key properties of 1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide?
1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 326.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromopyridine-3-carbonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 103754069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).