(3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide

C18H20ClN3O2 — CID 124620229

IUPAC(3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
SMILESCc1cnccc1CNC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1
InChIInChI=1S/C18H20ClN3O2/c1-13-10-20-8-6-14(13)11-21-18(23)22-9-7-15(12-22)24-17-5-3-2-4-16(17)19/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyUASVOANZWOXXLS-OAHLLOKOSA-N
MW345.83 g/mol
LogP3.41
Rot. Bonds4

About (3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide

(3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 124620229) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
PubChem CID124620229
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name(3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
SMILESCc1cnccc1CNC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1
InChIInChI=1S/C18H20ClN3O2/c1-13-10-20-8-6-14(13)11-21-18(23)22-9-7-15(12-22)24-17-5-3-2-4-16(17)19/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,21,23)/t15-/m1/s1
InChIKeyUASVOANZWOXXLS-OAHLLOKOSA-N
XLogP3.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-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-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine
CID 167766105
3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122256474
3-(2-chlorophenoxy)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide
CID 126785969
(3R)-3-(2-chlorophenoxy)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 124514067
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 121017510
2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 114701386
(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
CID 124593505
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
CID 119100246
[2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 119100237
3-(2-chlorophenoxy)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 126783238
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
(2S)-2-amino-1-[(3R)-3-(2-chlorophenoxy)pyrrolidin-1-yl]pentan-1-one
CID 97261184

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide (CID 124620229) is (3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide is Cc1cnccc1CNC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1.
What is the InChIKey of (3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is UASVOANZWOXXLS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13-10-20-8-6-14(13)11-21-18(23)22-9-7-15(12-22)24-17-5-3-2-4-16(17)19/h2-6,8,10,15H,7,9,11-12H2,1H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
(3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenoxy)-N-[(3-methyl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124620229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).