4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide

C12H18ClN3O — CID 63299472

IUPAC4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Cl)cn1C)C1CCNC1
InChIInChI=1S/C12H18ClN3O/c1-3-16(10-4-5-14-7-10)12(17)11-6-9(13)8-15(11)2/h6,8,10,14H,3-5,7H2,1-2H3
InChIKeyGSZCUNOANRAOPP-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.50
Rot. Bonds3

About 4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide

4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide (PubChem CID 63299472) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
PubChem CID63299472
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Cl)cn1C)C1CCNC1
InChIInChI=1S/C12H18ClN3O/c1-3-16(10-4-5-14-7-10)12(17)11-6-9(13)8-15(11)2/h6,8,10,14H,3-5,7H2,1-2H3
InChIKeyGSZCUNOANRAOPP-UHFFFAOYSA-N
XLogP1.50
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63299114
4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 60805388
4-chloro-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63300921
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
CID 107971834
2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid
CID 54926471
4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688807
3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 60806736
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257
5-chloro-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 63299732
4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 60807794
1-methyl-4-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119530376

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide (CID 63299472) is 4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide is CCN(C(=O)c1cc(Cl)cn1C)C1CCNC1.
What is the InChIKey of 4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
The InChIKey is GSZCUNOANRAOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-16(10-4-5-14-7-10)12(17)11-6-9(13)8-15(11)2/h6,8,10,14H,3-5,7H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide is sourced from PubChem (CID 63299472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).