N-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide

C14H22N2O3 — CID 71986025

IUPACN-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCOC(CNC(=O)c1ccn(C)c(=O)c1)C(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-14(2,3)11(19-5)9-15-13(18)10-6-7-16(4)12(17)8-10/h6-8,11H,9H2,1-5H3,(H,15,18)
InChIKeyCFDQAPYKOMNJEG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.18
Rot. Bonds4

About N-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide

N-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 71986025) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID71986025
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCOC(CNC(=O)c1ccn(C)c(=O)c1)C(C)(C)C
InChIInChI=1S/C14H22N2O3/c1-14(2,3)11(19-5)9-15-13(18)10-6-7-16(4)12(17)8-10/h6-8,11H,9H2,1-5H3,(H,15,18)
InChIKeyCFDQAPYKOMNJEG-UHFFFAOYSA-N
XLogP1.18
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 71986025) is N-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide is COC(CNC(=O)c1ccn(C)c(=O)c1)C(C)(C)C.
What is the InChIKey of N-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is CFDQAPYKOMNJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)11(19-5)9-15-13(18)10-6-7-16(4)12(17)8-10/h6-8,11H,9H2,1-5H3,(H,15,18).
What are the key properties of N-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3,3-dimethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 71986025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).