4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide

C20H32N2O3 — CID 170512627

IUPAC4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCCCCN2CCCC2)c(=O)o1
InChIInChI=1S/C20H32N2O3/c1-4-9-15(2)17-14-16(3)18(20(24)25-17)19(23)21-10-5-6-11-22-12-7-8-13-22/h14-15H,4-13H2,1-3H3,(H,21,23)
InChIKeyJYZDTSZECWRXSC-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.46
Rot. Bonds9

About 4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide

4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide (PubChem CID 170512627) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide
PubChem CID170512627
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCCCCN2CCCC2)c(=O)o1
InChIInChI=1S/C20H32N2O3/c1-4-9-15(2)17-14-16(3)18(20(24)25-17)19(23)21-10-5-6-11-22-12-7-8-13-22/h14-15H,4-13H2,1-3H3,(H,21,23)
InChIKeyJYZDTSZECWRXSC-UHFFFAOYSA-N
XLogP3.46
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one
CID 169418871
N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170504979
4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride
CID 171713320
1-[3-[[4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carbonyl]amino]propyl]piperidine-3-carboxamide
CID 170510655
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170502855
4-methyl-2-oxo-6-pentan-2-yl-N-(4-piperazin-1-ylphenyl)pyran-3-carboxamide
CID 170513264
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
6-cyclobutyl-4-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyran-3-carboxamide
CID 170510918
2-(2-methylpropoxy)-4-oxo-N-(3-piperidin-1-ylpropyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
CID 91904559
2-ethoxy-4-oxo-N-(3-piperidin-1-ylpropyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
CID 91914328
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107029176
5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 70779896

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide (CID 170512627) is 4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)NCCCCN2CCCC2)c(=O)o1.
What is the InChIKey of 4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide?
The InChIKey is JYZDTSZECWRXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-4-9-15(2)17-14-16(3)18(20(24)25-17)19(23)21-10-5-6-11-22-12-7-8-13-22/h14-15H,4-13H2,1-3H3,(H,21,23).
What are the key properties of 4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide?
4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide is sourced from PubChem (CID 170512627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).