1,2,3,6-tetrahydropyridine-6-carboxamide

C6H10N2O — CID 13444044

IUPAC1,2,3,6-tetrahydropyridine-6-carboxamide
SMILESNC(=O)C1C=CCCN1
InChIInChI=1S/C6H10N2O/c7-6(9)5-3-1-2-4-8-5/h1,3,5,8H,2,4H2,(H2,7,9)
InChIKeyZUPXWZUSFDMDQY-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.61
Rot. Bonds1

About 1,2,3,6-tetrahydropyridine-6-carboxamide

1,2,3,6-tetrahydropyridine-6-carboxamide (PubChem CID 13444044) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridine-6-carboxamide.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridine-6-carboxamide
PubChem CID13444044
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1,2,3,6-tetrahydropyridine-6-carboxamide
SMILESNC(=O)C1C=CCCN1
InChIInChI=1S/C6H10N2O/c7-6(9)5-3-1-2-4-8-5/h1,3,5,8H,2,4H2,(H2,7,9)
InChIKeyZUPXWZUSFDMDQY-UHFFFAOYSA-N
XLogP-0.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridine-6-carboxamide?
The IUPAC name of 1,2,3,6-tetrahydropyridine-6-carboxamide (CID 13444044) is 1,2,3,6-tetrahydropyridine-6-carboxamide.
What is the SMILES notation for 1,2,3,6-tetrahydropyridine-6-carboxamide?
The canonical SMILES for 1,2,3,6-tetrahydropyridine-6-carboxamide is NC(=O)C1C=CCCN1.
What is the InChIKey of 1,2,3,6-tetrahydropyridine-6-carboxamide?
The InChIKey is ZUPXWZUSFDMDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-6(9)5-3-1-2-4-8-5/h1,3,5,8H,2,4H2,(H2,7,9).
What are the key properties of 1,2,3,6-tetrahydropyridine-6-carboxamide?
1,2,3,6-tetrahydropyridine-6-carboxamide has a molecular weight of 126.16 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridine-6-carboxamide is sourced from PubChem (CID 13444044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).