4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid

C19H20N2O5 — CID 126786953

IUPAC4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid
SMILESCc1cccc(Cn2cccc(C(=O)N3CCOC(C(=O)O)C3)c2=O)c1
InChIInChI=1S/C19H20N2O5/c1-13-4-2-5-14(10-13)11-20-7-3-6-15(17(20)22)18(23)21-8-9-26-16(12-21)19(24)25/h2-7,10,16H,8-9,11-12H2,1H3,(H,24,25)
InChIKeyRKTSAHNZSYILOA-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.13
Rot. Bonds4

About 4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid

4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid (PubChem CID 126786953) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid
PubChem CID126786953
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid
SMILESCc1cccc(Cn2cccc(C(=O)N3CCOC(C(=O)O)C3)c2=O)c1
InChIInChI=1S/C19H20N2O5/c1-13-4-2-5-14(10-13)11-20-7-3-6-15(17(20)22)18(23)21-8-9-26-16(12-21)19(24)25/h2-7,10,16H,8-9,11-12H2,1H3,(H,24,25)
InChIKeyRKTSAHNZSYILOA-UHFFFAOYSA-N
XLogP1.13
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-2-ethylmorpholine-4-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 95584378
(3R)-4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125151027
3-[(3S)-3-ethylpiperidine-1-carbonyl]-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 52539460
potassium 5-hydroxy-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]piperidine-3-carboxylate
CID 167838857
3-methyl-1-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256185
(2S)-4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]morpholine-2-carboxylic acid
CID 95891521
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634
4-(8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239079
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-N-phenylpyridine-3-carboxamide
CID 7598420
(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid
CID 124699307
N-[(2S)-3,3-dimethylbutan-2-yl]-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 52539461

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid (CID 126786953) is 4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid is Cc1cccc(Cn2cccc(C(=O)N3CCOC(C(=O)O)C3)c2=O)c1.
What is the InChIKey of 4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is RKTSAHNZSYILOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13-4-2-5-14(10-13)11-20-7-3-6-15(17(20)22)18(23)21-8-9-26-16(12-21)19(24)25/h2-7,10,16H,8-9,11-12H2,1H3,(H,24,25).
What are the key properties of 4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid?
4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 126786953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).