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

C16H26N2O2 — CID 153398196

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide;molecular hydrogen
SMILESCCn1cc(NC(=O)C2CCC(C)C(C)C2)ccc1=O.[H][H]
InChIInChI=1S/C16H24N2O2.H2/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);1H
InChIKeyQHPONYNZJSEJIV-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.12
Rot. Bonds3

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

N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide;molecular hydrogen (PubChem CID 153398196) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide;molecular hydrogen
PubChem CID153398196
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide;molecular hydrogen
SMILESCCn1cc(NC(=O)C2CCC(C)C(C)C2)ccc1=O.[H][H]
InChIInChI=1S/C16H24N2O2.H2/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);1H
InChIKeyQHPONYNZJSEJIV-UHFFFAOYSA-N
XLogP3.12
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.12
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;molecular hydrogen?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide;molecular hydrogen (CID 153398196) is N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide;molecular hydrogen is CCn1cc(NC(=O)C2CCC(C)C(C)C2)ccc1=O.[H][H].
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide;molecular hydrogen?
The InChIKey is QHPONYNZJSEJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.H2/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);1H.
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide;molecular hydrogen?
N-(1-ethyl-6-oxo-3-pyridinyl)-3,4-dimethylcyclohexane-1-carboxamide;molecular hydrogen has a molecular weight of 278.40 g/mol, XLogP of 3.12, 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;molecular hydrogen is sourced from PubChem (CID 153398196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).