ethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

C24H22N4O6 — CID 23804678

IUPACethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C24H22N4O6/c1-4-34-23(30)18-17(15-12-8-9-13-16(15)28(32)33)19-21(26(2)24(31)27(3)22(19)29)25-20(18)14-10-6-5-7-11-14/h5-13,17,25H,4H2,1-3H3
InChIKeyZOVYSYFYMOKKGT-UHFFFAOYSA-N
MW462.46 g/mol
LogP2.52
Rot. Bonds5

About ethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 23804678) has the molecular formula C24H22N4O6 and a molecular weight of 462.46 g/mol. Its IUPAC name is ethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID23804678
Molecular FormulaC24H22N4O6
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Nameethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)C1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C24H22N4O6/c1-4-34-23(30)18-17(15-12-8-9-13-16(15)28(32)33)19-21(26(2)24(31)27(3)22(19)29)25-20(18)14-10-6-5-7-11-14/h5-13,17,25H,4H2,1-3H3
InChIKeyZOVYSYFYMOKKGT-UHFFFAOYSA-N
XLogP2.52
TPSA125.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 23941344
diethyl 1-ethyl-2,6-dimethyl-4-(2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
CID 139939569
ethyl 2,4-diphenyl-1,4-dihydroquinoline-3-carboxylate
CID 25136014
diethyl 1,2,6-triethyl-4-(2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
CID 139939572
ethyl 3-carbamoyl-6-methyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 110190948
ethyl 7-amino-5-(2-nitrophenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
CID 23961714
diethyl 2-(carbamoyloxymethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 13131588
ethyl 4-(5-nitro-2,4-dipropoxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846566
prop-2-enyl (5S)-1,3,7-trimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 7172538
3-O-ethyl 5-O-(2-methoxy-2-phenylethyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 67923824
methyl (5S)-1,3,7-trimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 7160979
ethyl 4-(2-ethoxy-5-nitrophenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2907062

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate (CID 23804678) is ethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(c2ccccc2)Nc2c(c(=O)n(C)c(=O)n2C)C1c1ccccc1[N+](=O)[O-].
What is the InChIKey of ethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ZOVYSYFYMOKKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O6/c1-4-34-23(30)18-17(15-12-8-9-13-16(15)28(32)33)19-21(26(2)24(31)27(3)22(19)29)25-20(18)14-10-6-5-7-11-14/h5-13,17,25H,4H2,1-3H3.
What are the key properties of ethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 462.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 23804678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).