N-(5-cyano-2-pyridinyl)azocane-1-carboxamide

C14H18N4O — CID 126839121

IUPACN-(5-cyano-2-pyridinyl)azocane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCCCCCC2)nc1
InChIInChI=1S/C14H18N4O/c15-10-12-6-7-13(16-11-12)17-14(19)18-8-4-2-1-3-5-9-18/h6-7,11H,1-5,8-9H2,(H,16,17,19)
InChIKeyWAPGTTRNXSQGTP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.75
Rot. Bonds1

About N-(5-cyano-2-pyridinyl)azocane-1-carboxamide

N-(5-cyano-2-pyridinyl)azocane-1-carboxamide (PubChem CID 126839121) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)azocane-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)azocane-1-carboxamide
PubChem CID126839121
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(5-cyano-2-pyridinyl)azocane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCCCCCC2)nc1
InChIInChI=1S/C14H18N4O/c15-10-12-6-7-13(16-11-12)17-14(19)18-8-4-2-1-3-5-9-18/h6-7,11H,1-5,8-9H2,(H,16,17,19)
InChIKeyWAPGTTRNXSQGTP-UHFFFAOYSA-N
XLogP2.75
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide
CID 142622759
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CID 112685210
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-3-carbonitrile
CID 115576194
4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide
CID 139548010
1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
CID 55063233
N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 102609120
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
N-(5-cyano-2-methylphenyl)azepane-1-carboxamide
CID 78983990
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887313
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)azocane-1-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)azocane-1-carboxamide (CID 126839121) is N-(5-cyano-2-pyridinyl)azocane-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)azocane-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)azocane-1-carboxamide is N#Cc1ccc(NC(=O)N2CCCCCCC2)nc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)azocane-1-carboxamide?
The InChIKey is WAPGTTRNXSQGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-10-12-6-7-13(16-11-12)17-14(19)18-8-4-2-1-3-5-9-18/h6-7,11H,1-5,8-9H2,(H,16,17,19).
What are the key properties of N-(5-cyano-2-pyridinyl)azocane-1-carboxamide?
N-(5-cyano-2-pyridinyl)azocane-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)azocane-1-carboxamide is sourced from PubChem (CID 126839121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).