4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide

C16H24N2O2 — CID 18682014

IUPAC4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2c[nH]ccc2=O)CC(C)(C)C1
InChIInChI=1S/C16H24N2O2/c1-15(2)7-11(8-16(3,4)10-15)18-14(20)12-9-17-6-5-13(12)19/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyJWJUSWYEMMXCKQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.71
Rot. Bonds2

About 4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide

4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide (PubChem CID 18682014) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide
PubChem CID18682014
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2c[nH]ccc2=O)CC(C)(C)C1
InChIInChI=1S/C16H24N2O2/c1-15(2)7-11(8-16(3,4)10-15)18-14(20)12-9-17-6-5-13(12)19/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyJWJUSWYEMMXCKQ-UHFFFAOYSA-N
XLogP2.71
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide (CID 18682014) is 4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide is CC1(C)CC(NC(=O)c2c[nH]ccc2=O)CC(C)(C)C1.
What is the InChIKey of 4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide?
The InChIKey is JWJUSWYEMMXCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-15(2)7-11(8-16(3,4)10-15)18-14(20)12-9-17-6-5-13(12)19/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of 4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide?
4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 18682014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).