N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide

C12H18N2O3 — CID 114942665

IUPACN-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N2O3/c1-4-17-12(2,3)8-14-11(16)9-5-6-10(15)13-7-9/h5-7H,4,8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyVVSZNIZCICZDMB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.92
Rot. Bonds5

About N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide

N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 114942665) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID114942665
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H18N2O3/c1-4-17-12(2,3)8-14-11(16)9-5-6-10(15)13-7-9/h5-7H,4,8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyVVSZNIZCICZDMB-UHFFFAOYSA-N
XLogP0.92
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940355
6-amino-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide
CID 114944068
4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940306
N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115609109
sodium ethyl 6-oxo-1H-pyridine-3-carboxylate
CID 54606839
5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 114944525
6-oxo-1H-pyridine-3-carbohydrazide
CID 11051863
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46475867
N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 115604124
N-[(3-ethoxy-4-methoxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921254
N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115577610
N-(2,3-dihydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 66176023

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide (CID 114942665) is N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide is CCOC(C)(C)CNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VVSZNIZCICZDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-17-12(2,3)8-14-11(16)9-5-6-10(15)13-7-9/h5-7H,4,8H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114942665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).