1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide

C15H20N4O2 — CID 122562819

IUPAC1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide
SMILESCCn1ccc(C(=O)NCc2nccn2C(C)C)cc1=O
InChIInChI=1S/C15H20N4O2/c1-4-18-7-5-12(9-14(18)20)15(21)17-10-13-16-6-8-19(13)11(2)3/h5-9,11H,4,10H2,1-3H3,(H,17,21)
InChIKeyUKWOCTQFMBEXRE-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.58
Rot. Bonds5

About 1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide

1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 122562819) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide
PubChem CID122562819
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide
SMILESCCn1ccc(C(=O)NCc2nccn2C(C)C)cc1=O
InChIInChI=1S/C15H20N4O2/c1-4-18-7-5-12(9-14(18)20)15(21)17-10-13-16-6-8-19(13)11(2)3/h5-9,11H,4,10H2,1-3H3,(H,17,21)
InChIKeyUKWOCTQFMBEXRE-UHFFFAOYSA-N
XLogP1.58
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide (CID 122562819) is 1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide is CCn1ccc(C(=O)NCc2nccn2C(C)C)cc1=O.
What is the InChIKey of 1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is UKWOCTQFMBEXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-18-7-5-12(9-14(18)20)15(21)17-10-13-16-6-8-19(13)11(2)3/h5-9,11H,4,10H2,1-3H3,(H,17,21).
What are the key properties of 1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide?
1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-N-[(1-propan-2-ylimidazol-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 122562819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).