1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C19H21N3O2 — CID 46048617

IUPAC1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(=O)NCc3cccnc3)C2=O)c1
InChIInChI=1S/C19H21N3O2/c1-13-8-14(2)10-16(9-13)22-7-5-17(19(22)24)18(23)21-12-15-4-3-6-20-11-15/h3-4,6,8-11,17H,5,7,12H2,1-2H3,(H,21,23)
InChIKeyHOAZRQRNIORMJD-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.37
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 46048617) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID46048617
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(=O)NCc3cccnc3)C2=O)c1
InChIInChI=1S/C19H21N3O2/c1-13-8-14(2)10-16(9-13)22-7-5-17(19(22)24)18(23)21-12-15-4-3-6-20-11-15/h3-4,6,8-11,17H,5,7,12H2,1-2H3,(H,21,23)
InChIKeyHOAZRQRNIORMJD-UHFFFAOYSA-N
XLogP2.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610
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-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 28893428
(3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 92986928
(3S)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 93330917
N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119628688
N-[2-(dimethylamino)ethyl]-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744155
1-(4-methylphenyl)-2-oxo-N-[4-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 86888104
N-benzyl-1-(2,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048894
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 46048617) is 1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is Cc1cc(C)cc(N2CCC(C(=O)NCc3cccnc3)C2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is HOAZRQRNIORMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-8-14(2)10-16(9-13)22-7-5-17(19(22)24)18(23)21-12-15-4-3-6-20-11-15/h3-4,6,8-11,17H,5,7,12H2,1-2H3,(H,21,23).
What are the key properties of 1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46048617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).