4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide

C16H18N2O2 — CID 161431146

IUPAC4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide
SMILESCC(C)(C)C1=CC(=O)C(C(=O)Nc2ccccn2)=CC1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)11-7-8-12(13(19)10-11)15(20)18-14-6-4-5-9-17-14/h4-6,8-10H,7H2,1-3H3,(H,17,18,20)
InChIKeyVYAJRWWRUYTHMJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.89
Rot. Bonds2

About 4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide

4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide (PubChem CID 161431146) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide
PubChem CID161431146
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide
SMILESCC(C)(C)C1=CC(=O)C(C(=O)Nc2ccccn2)=CC1
InChIInChI=1S/C16H18N2O2/c1-16(2,3)11-7-8-12(13(19)10-11)15(20)18-14-6-4-5-9-17-14/h4-6,8-10H,7H2,1-3H3,(H,17,18,20)
InChIKeyVYAJRWWRUYTHMJ-UHFFFAOYSA-N
XLogP2.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-1-methyl-2-oxo-N-pyridin-2-ylpyridine-3-carboxamide
CID 166717694
3,3-dimethyl-N-pyridin-2-ylpentanamide
CID 134494130
1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212
5-methyl-N-pyridin-2-ylpyrimidine-2-carboxamide
CID 134531316
1-tert-butyl-N-pyridin-2-ylpyrrole-3-carboxamide
CID 110699059
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
5-tert-butyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 167799653
4-methyl-3-oxo-N-pyridin-2-ylquinoxaline-2-carboxamide
CID 53009406
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylacetamide
CID 18142520
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide?
The IUPAC name of 4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide (CID 161431146) is 4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide?
The canonical SMILES for 4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide is CC(C)(C)C1=CC(=O)C(C(=O)Nc2ccccn2)=CC1.
What is the InChIKey of 4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide?
The InChIKey is VYAJRWWRUYTHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2,3)11-7-8-12(13(19)10-11)15(20)18-14-6-4-5-9-17-14/h4-6,8-10H,7H2,1-3H3,(H,17,18,20).
What are the key properties of 4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide?
4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-oxo-N-pyridin-2-ylcyclohexa-1,4-diene-1-carboxamide is sourced from PubChem (CID 161431146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).