2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide

C13H20N4O3S — CID 72876019

IUPAC2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCCS(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C13H20N4O3S/c1-2-12-15-9-11(10-16-12)13(18)14-5-8-21(19,20)17-6-3-4-7-17/h9-10H,2-8H2,1H3,(H,14,18)
InChIKeyWLKKBDAHHYTGOR-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.19
Rot. Bonds6

About 2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide

2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide (PubChem CID 72876019) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide
PubChem CID72876019
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NCCS(=O)(=O)N2CCCC2)cn1
InChIInChI=1S/C13H20N4O3S/c1-2-12-15-9-11(10-16-12)13(18)14-5-8-21(19,20)17-6-3-4-7-17/h9-10H,2-8H2,1H3,(H,14,18)
InChIKeyWLKKBDAHHYTGOR-UHFFFAOYSA-N
XLogP0.19
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-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

Related Compounds

2-methoxy-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide
CID 119066087
3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345378
N-(2-pyrrolidin-1-ylsulfonylethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxamide
CID 136567327
1-benzyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-4-carboxamide
CID 74230410
3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide
CID 74244514
N-[2-(azepan-1-ylsulfonyl)ethyl]propanamide
CID 110345992
2-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345334
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
CID 110346034
1-methyl-3-propyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrazole-5-carboxamide
CID 72917154
4-(3-hydroxy-3-methylbutyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 56909604
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-methylbenzamide
CID 110346004
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 16881351

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide (CID 72876019) is 2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide is CCc1ncc(C(=O)NCCS(=O)(=O)N2CCCC2)cn1.
What is the InChIKey of 2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide?
The InChIKey is WLKKBDAHHYTGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-2-12-15-9-11(10-16-12)13(18)14-5-8-21(19,20)17-6-3-4-7-17/h9-10H,2-8H2,1H3,(H,14,18).
What are the key properties of 2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide?
2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 72876019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).