1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide

C20H33N3O3 — CID 46904279

IUPAC1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCCCCN1C(=O)C(CC(=O)NC2CC2)CC(C(=O)N(CC)CC)=C1C
InChIInChI=1S/C20H33N3O3/c1-5-8-11-23-14(4)17(20(26)22(6-2)7-3)12-15(19(23)25)13-18(24)21-16-9-10-16/h15-16H,5-13H2,1-4H3,(H,21,24)
InChIKeyHFXDKTKUPSLERT-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.45
Rot. Bonds9

About 1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide

1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 46904279) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID46904279
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCCCCN1C(=O)C(CC(=O)NC2CC2)CC(C(=O)N(CC)CC)=C1C
InChIInChI=1S/C20H33N3O3/c1-5-8-11-23-14(4)17(20(26)22(6-2)7-3)12-15(19(23)25)13-18(24)21-16-9-10-16/h15-16H,5-13H2,1-4H3,(H,21,24)
InChIKeyHFXDKTKUPSLERT-UHFFFAOYSA-N
XLogP2.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-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-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 46904279) is 1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is CCCCN1C(=O)C(CC(=O)NC2CC2)CC(C(=O)N(CC)CC)=C1C.
What is the InChIKey of 1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is HFXDKTKUPSLERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-5-8-11-23-14(4)17(20(26)22(6-2)7-3)12-15(19(23)25)13-18(24)21-16-9-10-16/h15-16H,5-13H2,1-4H3,(H,21,24).
What are the key properties of 1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46904279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).