1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide

C12H18N2O3 — CID 70972150

IUPAC1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(=O)n(CCOCC)c1
InChIInChI=1S/C12H18N2O3/c1-3-13-12(16)10-5-6-11(15)14(9-10)7-8-17-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,16)
InChIKeySJNVVPWSAXTHQC-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.63
Rot. Bonds6

About 1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide

1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide (PubChem CID 70972150) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide
PubChem CID70972150
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(=O)n(CCOCC)c1
InChIInChI=1S/C12H18N2O3/c1-3-13-12(16)10-5-6-11(15)14(9-10)7-8-17-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,16)
InChIKeySJNVVPWSAXTHQC-UHFFFAOYSA-N
XLogP0.63
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide (CID 70972150) is 1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide is CCNC(=O)c1ccc(=O)n(CCOCC)c1.
What is the InChIKey of 1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide?
The InChIKey is SJNVVPWSAXTHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-13-12(16)10-5-6-11(15)14(9-10)7-8-17-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,16).
What are the key properties of 1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide?
1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-ethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 70972150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).