1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide

C22H26N4O3 — CID 51124677

IUPAC1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3ccc(N4CCOCC4)cn3)C2=O)cc1C
InChIInChI=1S/C22H26N4O3/c1-15-3-4-17(13-16(15)2)26-8-7-19(22(26)28)21(27)24-20-6-5-18(14-23-20)25-9-11-29-12-10-25/h3-6,13-14,19H,7-12H2,1-2H3,(H,23,24,27)
InChIKeyCOPZIRBXPPOAKG-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.53
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide

1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 51124677) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID51124677
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3ccc(N4CCOCC4)cn3)C2=O)cc1C
InChIInChI=1S/C22H26N4O3/c1-15-3-4-17(13-16(15)2)26-8-7-19(22(26)28)21(27)24-20-6-5-18(14-23-20)25-9-11-29-12-10-25/h3-6,13-14,19H,7-12H2,1-2H3,(H,23,24,27)
InChIKeyCOPZIRBXPPOAKG-UHFFFAOYSA-N
XLogP2.53
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-morpholin-4-yl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 119842040
4-fluoro-3,5-dimethyl-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 146084918
(3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 38139612
(2S,4S)-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide;hydrochloride
CID 120632213
1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
(3R)-N-[3-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 94477713
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
4-[[1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229691
1-(4-chloro-3-methylphenyl)-3-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 42863491
(2S,3R)-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 38142951
3-methylsulfanyl-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 25469896
4-[[(3R)-1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 124698156

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide (CID 51124677) is 1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CCC(C(=O)Nc3ccc(N4CCOCC4)cn3)C2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is COPZIRBXPPOAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-3-4-17(13-16(15)2)26-8-7-19(22(26)28)21(27)24-20-6-5-18(14-23-20)25-9-11-29-12-10-25/h3-6,13-14,19H,7-12H2,1-2H3,(H,23,24,27).
What are the key properties of 1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide?
1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51124677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).