1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide

C12H14BrN3O2 — CID 107518190

IUPAC1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1ncccc1Br
InChIInChI=1S/C12H14BrN3O2/c13-8-4-3-6-15-10(8)12(18)16-7-2-1-5-9(16)11(14)17/h3-4,6,9H,1-2,5,7H2,(H2,14,17)
InChIKeyOMBVLSRHZCZPGP-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.32
Rot. Bonds2

About 1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide

1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide (PubChem CID 107518190) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide
PubChem CID107518190
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)c1ncccc1Br
InChIInChI=1S/C12H14BrN3O2/c13-8-4-3-6-15-10(8)12(18)16-7-2-1-5-9(16)11(14)17/h3-4,6,9H,1-2,5,7H2,(H2,14,17)
InChIKeyOMBVLSRHZCZPGP-UHFFFAOYSA-N
XLogP1.32
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxamide
CID 60715718
3-[1-(3-bromopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 107517068
1-[1-(3-bromopyridine-2-carbonyl)azepan-2-yl]propan-2-one
CID 107517573
(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 66715242
2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 107517571
1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 19790874
1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62339102
[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-(3-bromo-2-pyridinyl)methanone
CID 129402805
1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64560694
1-(3-bromopyridine-2-carbonyl)-N'-hydroxypiperidine-3-carboximidamide
CID 107525417
4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 107519258
(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 107518959

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of 1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide (CID 107518190) is 1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)c1ncccc1Br.
What is the InChIKey of 1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is OMBVLSRHZCZPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c13-8-4-3-6-15-10(8)12(18)16-7-2-1-5-9(16)11(14)17/h3-4,6,9H,1-2,5,7H2,(H2,14,17).
What are the key properties of 1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide?
1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 312.17 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 107518190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).