5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide

C13H15BrN4O — CID 55247297

IUPAC5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESN#CCN1CCC(NC(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C13H15BrN4O/c14-10-1-2-12(16-9-10)13(19)17-11-3-6-18(7-4-11)8-5-15/h1-2,9,11H,3-4,6-8H2,(H,17,19)
InChIKeyYQRKNARFBQQHHO-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.56
Rot. Bonds3

About 5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide

5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 55247297) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID55247297
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESN#CCN1CCC(NC(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C13H15BrN4O/c14-10-1-2-12(16-9-10)13(19)17-11-3-6-18(7-4-11)8-5-15/h1-2,9,11H,3-4,6-8H2,(H,17,19)
InChIKeyYQRKNARFBQQHHO-UHFFFAOYSA-N
XLogP1.56
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide
CID 62953534
4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide
CID 63625545
3-(4-bromophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166179780
4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 62958596
N-[1-(cyanomethyl)piperidin-4-yl]-2,6-dihydroxybenzamide
CID 103890464
N-[1-(cyanomethyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 113233064
N-[1-(cyanomethyl)piperidin-4-yl]-4-iodobenzamide
CID 63627664
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide
CID 63627666
N-[1-(cyanomethyl)piperidin-4-yl]-3,4-dihydroxybenzamide
CID 103956985
N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
CID 60968606
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide
CID 62953418
N-[1-(cyanomethyl)piperidin-4-yl]-3,5-dimethylbenzamide
CID 63625203

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide (CID 55247297) is 5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide is N#CCN1CCC(NC(=O)c2ccc(Br)cn2)CC1.
What is the InChIKey of 5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is YQRKNARFBQQHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c14-10-1-2-12(16-9-10)13(19)17-11-3-6-18(7-4-11)8-5-15/h1-2,9,11H,3-4,6-8H2,(H,17,19).
What are the key properties of 5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide?
5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 55247297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).