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

C14H20ClN3O — CID 63299114

IUPAC4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Cl)cn1C1CC1)C1CCNC1
InChIInChI=1S/C14H20ClN3O/c1-2-17(12-5-6-16-8-12)14(19)13-7-10(15)9-18(13)11-3-4-11/h7,9,11-12,16H,2-6,8H2,1H3
InChIKeyOMDUDEDEVGWTCT-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.30
Rot. Bonds4

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

4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide (PubChem CID 63299114) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
PubChem CID63299114
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Cl)cn1C1CC1)C1CCNC1
InChIInChI=1S/C14H20ClN3O/c1-2-17(12-5-6-16-8-12)14(19)13-7-10(15)9-18(13)11-3-4-11/h7,9,11-12,16H,2-6,8H2,1H3
InChIKeyOMDUDEDEVGWTCT-UHFFFAOYSA-N
XLogP2.30
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63299472
N-(azetidin-3-yl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 66188247
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
4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688095
3,5-dichloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 60806736
N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
CID 107971834
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
N-(3-aminopropyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 115318911
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide (CID 63299114) is 4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide is CCN(C(=O)c1cc(Cl)cn1C1CC1)C1CCNC1.
What is the InChIKey of 4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
The InChIKey is OMDUDEDEVGWTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-17(12-5-6-16-8-12)14(19)13-7-10(15)9-18(13)11-3-4-11/h7,9,11-12,16H,2-6,8H2,1H3.
What are the key properties of 4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide?
4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopropyl-N-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide is sourced from PubChem (CID 63299114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).