4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide

C13H20ClN3O2 — CID 43639819

IUPAC4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C13H20ClN3O2/c1-3-4-17-8-9(14)5-11(17)13(18)16-10-6-15-7-12(10)19-2/h5,8,10,12,15H,3-4,6-7H2,1-2H3,(H,16,18)/t10?,12-/m0/s1
InChIKeyZCLHODKQAJBPEI-KFJBMODSSA-N
MW285.78 g/mol
LogP1.27
Rot. Bonds5

About 4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide

4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide (PubChem CID 43639819) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide
PubChem CID43639819
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)NC1CNC[C@@H]1OC
InChIInChI=1S/C13H20ClN3O2/c1-3-4-17-8-9(14)5-11(17)13(18)16-10-6-15-7-12(10)19-2/h5,8,10,12,15H,3-4,6-7H2,1-2H3,(H,16,18)/t10?,12-/m0/s1
InChIKeyZCLHODKQAJBPEI-KFJBMODSSA-N
XLogP1.27
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(4-methylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide
CID 114696329
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide
CID 106250582
4-chloro-1-ethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379148
N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
CID 99852434
4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639804
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 43594183
2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
CID 136561181
2,6-dichloro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594211
2-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220024
4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113304909
1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea
CID 52908262

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide (CID 43639819) is 4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)NC1CNC[C@@H]1OC.
What is the InChIKey of 4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide?
The InChIKey is ZCLHODKQAJBPEI-KFJBMODSSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-3-4-17-8-9(14)5-11(17)13(18)16-10-6-15-7-12(10)19-2/h5,8,10,12,15H,3-4,6-7H2,1-2H3,(H,16,18)/t10?,12-/m0/s1.
What are the key properties of 4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide?
4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide has a molecular weight of 285.78 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43639819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).