methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate

C21H20N2O5 — CID 7263389

IUPACmethyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H20N2O5/c1-13-19(21(26)27-2)17(12-18(24)22-13)20(25)23-14-8-10-16(11-9-14)28-15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyDRGHZZDIZAIBTF-KRWDZBQOSA-N
MW380.40 g/mol
LogP3.00
Rot. Bonds5

About methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate

methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 7263389) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID7263389
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Namemethyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H20N2O5/c1-13-19(21(26)27-2)17(12-18(24)22-13)20(25)23-14-8-10-16(11-9-14)28-15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyDRGHZZDIZAIBTF-KRWDZBQOSA-N
XLogP3.00
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate with MolForge

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Related Compounds

methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7357293
methyl (4R)-4-[(2-ethylphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 40771859
ethyl (4R)-4-[(4-ethoxycarbonylphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7447036
(4S)-5-cyano-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-4-carboxamide
CID 40771868
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
methyl (4S)-4-[(5-chloro-2-methylphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 41090528
(2R)-6-oxo-N-(4-phenoxyphenyl)piperidine-2-carboxamide
CID 146122694
2-oxo-N-(3-phenoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 75835575
6-methyl-4-[(3-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
CID 20842916
2-N-(4-methylphenyl)-1-N-(4-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109141175
(5S)-2-(4-fluoroanilino)-4,7-dioxo-N-(4-phenoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carboxamide
CID 136876339
methyl 6-methyl-4-[(2-methyl-4-nitrophenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17067536

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate (CID 7263389) is methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate is COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is DRGHZZDIZAIBTF-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-13-19(21(26)27-2)17(12-18(24)22-13)20(25)23-14-8-10-16(11-9-14)28-15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1.
What are the key properties of methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate?
methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-6-methyl-2-oxo-4-[(4-phenoxyphenyl)carbamoyl]-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 7263389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).