N-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

C13H20N2O3 — CID 121494603

IUPACN-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCOC(C)(C)CNC(=O)c1c(C)[nH]c(C)cc1=O
InChIInChI=1S/C13H20N2O3/c1-8-6-10(16)11(9(2)15-8)12(17)14-7-13(3,4)18-5/h6H,7H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyVRPRYXKTCXNXJK-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.15
Rot. Bonds4

About N-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide

N-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 121494603) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID121494603
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCOC(C)(C)CNC(=O)c1c(C)[nH]c(C)cc1=O
InChIInChI=1S/C13H20N2O3/c1-8-6-10(16)11(9(2)15-8)12(17)14-7-13(3,4)18-5/h6H,7H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyVRPRYXKTCXNXJK-UHFFFAOYSA-N
XLogP1.15
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide (CID 121494603) is N-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is COC(C)(C)CNC(=O)c1c(C)[nH]c(C)cc1=O.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VRPRYXKTCXNXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-6-10(16)11(9(2)15-8)12(17)14-7-13(3,4)18-5/h6H,7H2,1-5H3,(H,14,17)(H,15,16).
What are the key properties of N-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide?
N-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 121494603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).