N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide

C12H18N2O4 — CID 114263805

IUPACN-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCCN(CCOCCO)C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H18N2O4/c1-2-14(5-7-18-8-6-15)12(17)10-3-4-13-11(16)9-10/h3-4,9,15H,2,5-8H2,1H3,(H,13,16)
InChIKeyBTGQNIWVMMQHDI-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.15
Rot. Bonds7

About N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide

N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 114263805) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID114263805
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCCN(CCOCCO)C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H18N2O4/c1-2-14(5-7-18-8-6-15)12(17)10-3-4-13-11(16)9-10/h3-4,9,15H,2,5-8H2,1H3,(H,13,16)
InChIKeyBTGQNIWVMMQHDI-UHFFFAOYSA-N
XLogP-0.15
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-oxo-N-prop-2-enyl-1H-pyridine-4-carboxamide
CID 103764844
N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide
CID 103764491
5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 114263702
N-ethyl-5-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
CID 114263707
N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103765269
N-(2-methoxyethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103764343
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763054
N-ethyl-2-oxo-N-propan-2-yl-1H-pyridine-4-carboxamide
CID 103764335
N-methyl-2-oxo-N-pentan-3-yl-1H-pyridine-4-carboxamide
CID 103763778
N-ethyl-N-(3-hydroxypropyl)-1H-indole-5-carboxamide
CID 115771732
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
4-amino-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 114263631

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide (CID 114263805) is N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide is CCN(CCOCCO)C(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is BTGQNIWVMMQHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-14(5-7-18-8-6-15)12(17)10-3-4-13-11(16)9-10/h3-4,9,15H,2,5-8H2,1H3,(H,13,16).
What are the key properties of N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide?
N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 114263805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).