6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide

C14H17N3O2 — CID 71873492

IUPAC6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(NC(=O)CC2=CCCCC2)n1
InChIInChI=1S/C14H17N3O2/c15-14(19)11-7-4-8-12(16-11)17-13(18)9-10-5-2-1-3-6-10/h4-5,7-8H,1-3,6,9H2,(H2,15,19)(H,16,17,18)
InChIKeyOTAPJJOSZVKEHG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.01
Rot. Bonds4

About 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide

6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide (PubChem CID 71873492) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide
PubChem CID71873492
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(NC(=O)CC2=CCCCC2)n1
InChIInChI=1S/C14H17N3O2/c15-14(19)11-7-4-8-12(16-11)17-13(18)9-10-5-2-1-3-6-10/h4-5,7-8H,1-3,6,9H2,(H2,15,19)(H,16,17,18)
InChIKeyOTAPJJOSZVKEHG-UHFFFAOYSA-N
XLogP2.01
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.01
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 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide (CID 71873492) is 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide is NC(=O)c1cccc(NC(=O)CC2=CCCCC2)n1.
What is the InChIKey of 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide?
The InChIKey is OTAPJJOSZVKEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-14(19)11-7-4-8-12(16-11)17-13(18)9-10-5-2-1-3-6-10/h4-5,7-8H,1-3,6,9H2,(H2,15,19)(H,16,17,18).
What are the key properties of 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide?
6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclohexen-1-yl)acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 71873492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).