1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide

C10H12BrClN4O — CID 79075744

IUPAC1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc(Cl)ncc2Br)C1
InChIInChI=1S/C10H12BrClN4O/c11-7-4-14-10(12)15-9(7)16-3-1-2-6(5-16)8(13)17/h4,6H,1-3,5H2,(H2,13,17)
InChIKeyXNEZWHALGCAXEU-UHFFFAOYSA-N
MW319.59 g/mol
LogP1.59
Rot. Bonds2

About 1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide

1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 79075744) has the molecular formula C10H12BrClN4O and a molecular weight of 319.59 g/mol. Its IUPAC name is 1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID79075744
Molecular FormulaC10H12BrClN4O
Molecular Weight319.59 g/mol
Exact Mass317.99
IUPAC Name1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc(Cl)ncc2Br)C1
InChIInChI=1S/C10H12BrClN4O/c11-7-4-14-10(12)15-9(7)16-3-1-2-6(5-16)8(13)17/h4,6H,1-3,5H2,(H2,13,17)
InChIKeyXNEZWHALGCAXEU-UHFFFAOYSA-N
XLogP1.59
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-amino-3,5-dichloro-2-pyridinyl)piperidine-3-carboxamide
CID 102754346
2-(3-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63376854
1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 79076088
(3S)-1-(4-amino-2-chloropyrimidin-5-yl)piperidine-3-carboxylic acid
CID 177244085
1-(5-aminopyrimidin-4-yl)piperidine-3-carboxamide
CID 79910682
1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
CID 172899347
1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 133302913
4-(5-bromo-2-chloropyrimidin-4-yl)-2-methyl-1,4-oxazepane
CID 79072899
1-(5-aminopyrimidin-2-yl)piperidine-3-carboxamide
CID 61146740
5-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536606
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)piperidine-3-carboxamide
CID 80918438
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide (CID 79075744) is 1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2nc(Cl)ncc2Br)C1.
What is the InChIKey of 1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is XNEZWHALGCAXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN4O/c11-7-4-14-10(12)15-9(7)16-3-1-2-6(5-16)8(13)17/h4,6H,1-3,5H2,(H2,13,17).
What are the key properties of 1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide?
1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 319.59 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chloropyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 79075744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).