(3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C20H23N3O3 — CID 95201429

IUPAC(3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)nc1
InChIInChI=1S/C20H23N3O3/c1-3-14-7-8-16(21-11-14)13-22(2)20(26)15-9-19(25)23(12-15)17-5-4-6-18(24)10-17/h4-8,10-11,15,24H,3,9,12-13H2,1-2H3/t15-/m1/s1
InChIKeyCVYQFJIUPTULCJ-OAHLLOKOSA-N
MW353.42 g/mol
LogP2.36
Rot. Bonds5

About (3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95201429) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95201429
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)nc1
InChIInChI=1S/C20H23N3O3/c1-3-14-7-8-16(21-11-14)13-22(2)20(26)15-9-19(25)23(12-15)17-5-4-6-18(24)10-17/h4-8,10-11,15,24H,3,9,12-13H2,1-2H3/t15-/m1/s1
InChIKeyCVYQFJIUPTULCJ-OAHLLOKOSA-N
XLogP2.36
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95190660
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55980123
(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6945519
1-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46587179
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 39982908
N-[(1-benzylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42947066
1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
CID 72916876
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 45351423
1-(2-ethylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51266510
(3S)-1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9389070
1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 17081991
(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9388957

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 95201429) is (3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CCc1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)nc1.
What is the InChIKey of (3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CVYQFJIUPTULCJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-14-7-8-16(21-11-14)13-22(2)20(26)15-9-19(25)23(12-15)17-5-4-6-18(24)10-17/h4-8,10-11,15,24H,3,9,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95201429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).