6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide

C9H14N4O — CID 515628

IUPAC6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide
SMILESN#CCCNC(=O)C1CCCC(N)=N1
InChIInChI=1S/C9H14N4O/c10-5-2-6-12-9(14)7-3-1-4-8(11)13-7/h7H,1-4,6H2,(H2,11,13)(H,12,14)
InChIKeyZISDSJDTKWSPIZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.07
Rot. Bonds3

About 6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide

6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide (PubChem CID 515628) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide
PubChem CID515628
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide
SMILESN#CCCNC(=O)C1CCCC(N)=N1
InChIInChI=1S/C9H14N4O/c10-5-2-6-12-9(14)7-3-1-4-8(11)13-7/h7H,1-4,6H2,(H2,11,13)(H,12,14)
InChIKeyZISDSJDTKWSPIZ-UHFFFAOYSA-N
XLogP-0.07
TPSA91.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide (CID 515628) is 6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide is N#CCCNC(=O)C1CCCC(N)=N1.
What is the InChIKey of 6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide?
The InChIKey is ZISDSJDTKWSPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-5-2-6-12-9(14)7-3-1-4-8(11)13-7/h7H,1-4,6H2,(H2,11,13)(H,12,14).
What are the key properties of 6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide?
6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide has a molecular weight of 194.24 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-cyanoethyl)-2,3,4,5-tetrahydropyridine-2-carboxamide is sourced from PubChem (CID 515628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).