4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide

C19H21N3O4 — CID 154843849

IUPAC4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide
SMILESCc1ccc(Cn2cccc(NC(=O)C3OCCN(C)C3=O)c2=O)cc1
InChIInChI=1S/C19H21N3O4/c1-13-5-7-14(8-6-13)12-22-9-3-4-15(18(22)24)20-17(23)16-19(25)21(2)10-11-26-16/h3-9,16H,10-12H2,1-2H3,(H,20,23)
InChIKeyRUIASFFCKREPIO-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.00
Rot. Bonds4

About 4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide

4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide (PubChem CID 154843849) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide
PubChem CID154843849
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide
SMILESCc1ccc(Cn2cccc(NC(=O)C3OCCN(C)C3=O)c2=O)cc1
InChIInChI=1S/C19H21N3O4/c1-13-5-7-14(8-6-13)12-22-9-3-4-15(18(22)24)20-17(23)16-19(25)21(2)10-11-26-16/h3-9,16H,10-12H2,1-2H3,(H,20,23)
InChIKeyRUIASFFCKREPIO-UHFFFAOYSA-N
XLogP1.00
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.00
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

cis-(1S,3R)-2,2-dimethyl-3-[[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066426
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide
CID 71910292
N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide
CID 167814290
N-(1-benzyl-2-oxo-3-pyridinyl)morpholine-3-carboxamide
CID 119811008
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide
CID 6488641
N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 1483036
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-(1,3-thiazol-4-yl)propanamide
CID 138993121
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide
CID 75432089
2-ethyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 166277768
1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 1450101
3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide
CID 154780300
(2S,4S)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637273

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide?
The IUPAC name of 4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide (CID 154843849) is 4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide is Cc1ccc(Cn2cccc(NC(=O)C3OCCN(C)C3=O)c2=O)cc1.
What is the InChIKey of 4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide?
The InChIKey is RUIASFFCKREPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-5-7-14(8-6-13)12-22-9-3-4-15(18(22)24)20-17(23)16-19(25)21(2)10-11-26-16/h3-9,16H,10-12H2,1-2H3,(H,20,23).
What are the key properties of 4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide?
4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-3-oxomorpholine-2-carboxamide is sourced from PubChem (CID 154843849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).