1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide

C13H16BrN3O2 — CID 103875343

IUPAC1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2cccc(Br)n2)C1
InChIInChI=1S/C13H16BrN3O2/c1-15-12(18)9-4-3-7-17(8-9)13(19)10-5-2-6-11(14)16-10/h2,5-6,9H,3-4,7-8H2,1H3,(H,15,18)
InChIKeyTZTZZCISSRPRLB-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.44
Rot. Bonds2

About 1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide

1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103875343) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide
PubChem CID103875343
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2cccc(Br)n2)C1
InChIInChI=1S/C13H16BrN3O2/c1-15-12(18)9-4-3-7-17(8-9)13(19)10-5-2-6-11(14)16-10/h2,5-6,9H,3-4,7-8H2,1H3,(H,15,18)
InChIKeyTZTZZCISSRPRLB-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

(3R)-1-(6-bromopyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 114037544
1-(2-bromo-6-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103733703
1-(2-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854324
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
(6-bromo-2-pyridinyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 103916821
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(6-bromo-2-pyridinyl)methanone
CID 113351404
methyl 6-[(3S)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylate
CID 94367293
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
(6-bromo-2-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103874986
1-(2-amino-6-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194108

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide (CID 103875343) is 1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)c2cccc(Br)n2)C1.
What is the InChIKey of 1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is TZTZZCISSRPRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-15-12(18)9-4-3-7-17(8-9)13(19)10-5-2-6-11(14)16-10/h2,5-6,9H,3-4,7-8H2,1H3,(H,15,18).
What are the key properties of 1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide?
1-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-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-(6-bromopyridine-2-carbonyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103875343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).