N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide

C16H24N2O2 — CID 153398197

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide
SMILESCCn1cc(NC(=O)C2CCC(C)C(C)C2)ccc1=O
InChIInChI=1S/C16H24N2O2/c1-4-18-10-14(7-8-15(18)19)17-16(20)13-6-5-11(2)12(3)9-13/h7-8,10-13H,4-6,9H2,1-3H3,(H,17,20)
InChIKeyFEXFHLISFSBNSS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.88
Rot. Bonds3

About N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide (PubChem CID 153398197) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide
PubChem CID153398197
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide
SMILESCCn1cc(NC(=O)C2CCC(C)C(C)C2)ccc1=O
InChIInChI=1S/C16H24N2O2/c1-4-18-10-14(7-8-15(18)19)17-16(20)13-6-5-11(2)12(3)9-13/h7-8,10-13H,4-6,9H2,1-3H3,(H,17,20)
InChIKeyFEXFHLISFSBNSS-UHFFFAOYSA-N
XLogP2.88
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide (CID 153398197) is N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide is CCn1cc(NC(=O)C2CCC(C)C(C)C2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is FEXFHLISFSBNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-18-10-14(7-8-15(18)19)17-16(20)13-6-5-11(2)12(3)9-13/h7-8,10-13H,4-6,9H2,1-3H3,(H,17,20).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 153398197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).