(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

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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).