N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide

C13H20N2O2 — CID 79471117

IUPACN-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)CN(CC)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H20N2O2/c1-4-10(3)9-15(5-2)13(17)11-6-7-12(16)14-8-11/h6-8,10H,4-5,9H2,1-3H3,(H,14,16)
InChIKeyQCIAFRQPHNBDTA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.88
Rot. Bonds5

About N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide

N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 79471117) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID79471117
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)CN(CC)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H20N2O2/c1-4-10(3)9-15(5-2)13(17)11-6-7-12(16)14-8-11/h6-8,10H,4-5,9H2,1-3H3,(H,14,16)
InChIKeyQCIAFRQPHNBDTA-UHFFFAOYSA-N
XLogP1.88
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43243457
3-[ethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 54898737
N-ethyl-4-(ethylamino)-N-(2-methylbutyl)benzamide
CID 79470101
N-ethyl-4-hydrazinyl-N-(2-methylbutyl)benzamide
CID 79470275
2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
CID 63651939
N-ethyl-6-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 28830720
N-ethyl-4-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide
CID 79470876
6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 60778275
6-amino-N-ethyl-N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 79471867
N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-carboxamide
CID 60792621
N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 114040760
5-acetyl-1H-pyridin-2-one;ethane;3-methyl-N-propan-2-yl-N-propylpentan-1-amine
CID 156716500

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide (CID 79471117) is N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide is CCC(C)CN(CC)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QCIAFRQPHNBDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-10(3)9-15(5-2)13(17)11-6-7-12(16)14-8-11/h6-8,10H,4-5,9H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide?
N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 79471117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).