ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate

C18H20N2O4 — CID 138377156

IUPACethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2ccc(C)cc2C)c(C)[nH]c1=O
InChIInChI=1S/C18H20N2O4/c1-5-24-18(23)14-9-13(12(4)19-17(14)22)16(21)20-15-7-6-10(2)8-11(15)3/h6-9H,5H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyHSTPIIQRSNEUHF-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.73
Rot. Bonds4

About ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate

ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 138377156) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID138377156
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2ccc(C)cc2C)c(C)[nH]c1=O
InChIInChI=1S/C18H20N2O4/c1-5-24-18(23)14-9-13(12(4)19-17(14)22)16(21)20-15-7-6-10(2)8-11(15)3/h6-9H,5H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyHSTPIIQRSNEUHF-UHFFFAOYSA-N
XLogP2.73
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
Ethyl 4-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 677051
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl cyclohexanecarboxylate
CID 1399519
Methyl 4-amino-1-octyl-2-oxoquinoline-3-carboxylate
CID 1952833
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 664543
2,5-Dioxo-1-p-tolyl-1,2,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester
CID 654868
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-methoxyacetate
CID 945916
1,3-Diethyl 2-{[(2,4-dimethylphenyl)amino]methylidene}propanedioate
CID 3833828
Ethyl 4-(hexylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 658207
Ethyl 2-oxo-4-(pentylamino)-1,2-dihydroquinoline-3-carboxylate
CID 658249
(6-methyl-2-oxo-1H-quinolin-3-yl)methyl oxolane-2-carboxylate
CID 665140
Ethyl 2-oxo-4-(piperidin-1-yl)-1,2-dihydroquinoline-3-carboxylate
CID 913206

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate (CID 138377156) is ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(C(=O)Nc2ccc(C)cc2C)c(C)[nH]c1=O.
What is the InChIKey of ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is HSTPIIQRSNEUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-5-24-18(23)14-9-13(12(4)19-17(14)22)16(21)20-15-7-6-10(2)8-11(15)3/h6-9H,5H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate?
ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 138377156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).