1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide

C12H13BrN4O — CID 172899347

IUPAC1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
SMILESN#Cc1cc(Br)cnc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C12H13BrN4O/c13-10-4-9(5-14)12(16-6-10)17-3-1-2-8(7-17)11(15)18/h4,6,8H,1-3,7H2,(H2,15,18)
InChIKeyQKBQCXHLMGMDMX-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.42
Rot. Bonds2

About 1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide

1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 172899347) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
PubChem CID172899347
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
SMILESN#Cc1cc(Br)cnc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C12H13BrN4O/c13-10-4-9(5-14)12(16-6-10)17-3-1-2-8(7-17)11(15)18/h4,6,8H,1-3,7H2,(H2,15,18)
InChIKeyQKBQCXHLMGMDMX-UHFFFAOYSA-N
XLogP1.42
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975375
5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 76848480
5-bromo-2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 171994872
1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697511
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide
CID 107275706
1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103768234
N-[1-(5-bromo-3-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172900633
1-(3-amino-5-bromo-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103194325
5-bromo-2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 76848472
1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide
CID 107926802
5-bromo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171992775

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide (CID 172899347) is 1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide is N#Cc1cc(Br)cnc1N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is QKBQCXHLMGMDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c13-10-4-9(5-14)12(16-6-10)17-3-1-2-8(7-17)11(15)18/h4,6,8H,1-3,7H2,(H2,15,18).
What are the key properties of 1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide?
1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 172899347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).