(3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C18H18ClN3O3 — CID 7264040

IUPAC(3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)cc1
InChIInChI=1S/C18H18ClN3O3/c1-2-25-15-6-4-14(5-7-15)22-11-12(9-17(22)23)18(24)21-16-8-3-13(19)10-20-16/h3-8,10,12H,2,9,11H2,1H3,(H,20,21,24)/t12-/m1/s1
InChIKeyGPNRZMCNMVUKCG-GFCCVEGCSA-N
MW359.81 g/mol
LogP3.13
Rot. Bonds5

About (3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 7264040) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID7264040
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name(3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)cc1
InChIInChI=1S/C18H18ClN3O3/c1-2-25-15-6-4-14(5-7-15)22-11-12(9-17(22)23)18(24)21-16-8-3-13(19)10-20-16/h3-8,10,12H,2,9,11H2,1H3,(H,20,21,24)/t12-/m1/s1
InChIKeyGPNRZMCNMVUKCG-GFCCVEGCSA-N
XLogP3.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459090
N-[2-(4-chlorophenoxy)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18273088
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
1-(4-chlorophenyl)-N'-(4-ethoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55835061
N-(5-chloro-2-pyridinyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497514
(3R)-N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2253384
N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2856431
(3S)-1-(4-ethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6549615
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1330971
(3S)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988212
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 7264040) is (3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cn3)CC2=O)cc1.
What is the InChIKey of (3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GPNRZMCNMVUKCG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-2-25-15-6-4-14(5-7-15)22-11-12(9-17(22)23)18(24)21-16-8-3-13(19)10-20-16/h3-8,10,12H,2,9,11H2,1H3,(H,20,21,24)/t12-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 359.81 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7264040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).