4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide

C13H17N3O — CID 56739646

IUPAC4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide
SMILESNc1ccnc(C(=O)NCC2=CCCCC2)c1
InChIInChI=1S/C13H17N3O/c14-11-6-7-15-12(8-11)13(17)16-9-10-4-2-1-3-5-10/h4,6-8H,1-3,5,9H2,(H2,14,15)(H,16,17)
InChIKeyBDEFJVOGVFIHMV-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.89
Rot. Bonds3

About 4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide

4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide (PubChem CID 56739646) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide
PubChem CID56739646
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide
SMILESNc1ccnc(C(=O)NCC2=CCCCC2)c1
InChIInChI=1S/C13H17N3O/c14-11-6-7-15-12(8-11)13(17)16-9-10-4-2-1-3-5-10/h4,6-8H,1-3,5,9H2,(H2,14,15)(H,16,17)
InChIKeyBDEFJVOGVFIHMV-UHFFFAOYSA-N
XLogP1.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide (CID 56739646) is 4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide is Nc1ccnc(C(=O)NCC2=CCCCC2)c1.
What is the InChIKey of 4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide?
The InChIKey is BDEFJVOGVFIHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-11-6-7-15-12(8-11)13(17)16-9-10-4-2-1-3-5-10/h4,6-8H,1-3,5,9H2,(H2,14,15)(H,16,17).
What are the key properties of 4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide?
4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclohexen-1-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 56739646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).