1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide

C24H23N3O3 — CID 86888104

IUPAC1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3ccc(OCc4cccnc4)cc3)C2=O)cc1
InChIInChI=1S/C24H23N3O3/c1-17-4-8-20(9-5-17)27-14-12-22(24(27)29)23(28)26-19-6-10-21(11-7-19)30-16-18-3-2-13-25-15-18/h2-11,13,15,22H,12,14,16H2,1H3,(H,26,28)
InChIKeyMEKAJZPZICELHK-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.96
Rot. Bonds6

About 1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide

1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 86888104) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID86888104
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3ccc(OCc4cccnc4)cc3)C2=O)cc1
InChIInChI=1S/C24H23N3O3/c1-17-4-8-20(9-5-17)27-14-12-22(24(27)29)23(28)26-19-6-10-21(11-7-19)30-16-18-3-2-13-25-15-18/h2-11,13,15,22H,12,14,16H2,1H3,(H,26,28)
InChIKeyMEKAJZPZICELHK-UHFFFAOYSA-N
XLogP3.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639
5-cyclopropyl-1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethoxy)phenyl]triazole-4-carboxamide
CID 86887909
1-[(4-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea
CID 156825214
1-(4-ethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 50797619
(3S)-1-(4-ethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95056070
1-(4-chlorophenyl)-N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-oxopyrrolidine-3-carboxamide
CID 102557635
N-(2-morpholin-4-ylethyl)-2-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 42853624
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
CID 70036759
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 110902995
N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46048508
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide (CID 86888104) is 1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide is Cc1ccc(N2CCC(C(=O)Nc3ccc(OCc4cccnc4)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is MEKAJZPZICELHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-4-8-20(9-5-17)27-14-12-22(24(27)29)23(28)26-19-6-10-21(11-7-19)30-16-18-3-2-13-25-15-18/h2-11,13,15,22H,12,14,16H2,1H3,(H,26,28).
What are the key properties of 1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide?
1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 86888104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).