N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide

C18H28N2O3 — CID 96569694

IUPACN-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
SMILESCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(=O)n(C)c2)C1(CC)CC
InChIInChI=1S/C18H28N2O3/c1-6-18(7-2)14(11-15(18)23-8-3)20(5)17(22)13-9-10-16(21)19(4)12-13/h9-10,12,14-15H,6-8,11H2,1-5H3/t14-,15+/m1/s1
InChIKeyLUIAGIORABAWHL-CABCVRRESA-N
MW320.43 g/mol
LogP2.44
Rot. Bonds6

About N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide

N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 96569694) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID96569694
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
SMILESCCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(=O)n(C)c2)C1(CC)CC
InChIInChI=1S/C18H28N2O3/c1-6-18(7-2)14(11-15(18)23-8-3)20(5)17(22)13-9-10-16(21)19(4)12-13/h9-10,12,14-15H,6-8,11H2,1-5H3/t14-,15+/m1/s1
InChIKeyLUIAGIORABAWHL-CABCVRRESA-N
XLogP2.44
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide (CID 96569694) is N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide is CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(=O)n(C)c2)C1(CC)CC.
What is the InChIKey of N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is LUIAGIORABAWHL-CABCVRRESA-N. The full InChI is InChI=1S/C18H28N2O3/c1-6-18(7-2)14(11-15(18)23-8-3)20(5)17(22)13-9-10-16(21)19(4)12-13/h9-10,12,14-15H,6-8,11H2,1-5H3/t14-,15+/m1/s1.
What are the key properties of N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide?
N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 96569694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).