4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

C16H14N4O5 — CID 21298151

IUPAC4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCOc1ncnc2c1C(c1cccc([N+](=O)[O-])c1)C(C(=O)O)=C(C)N2
InChIInChI=1S/C16H14N4O5/c1-8-11(16(21)22)12(9-4-3-5-10(6-9)20(23)24)13-14(19-8)17-7-18-15(13)25-2/h3-7,12H,1-2H3,(H,21,22)(H,17,18,19)
InChIKeyKJLPTGQIZRFFDJ-UHFFFAOYSA-N
MW342.31 g/mol
LogP2.31
Rot. Bonds4

About 4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid

4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 21298151) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is 4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID21298151
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC Name4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCOc1ncnc2c1C(c1cccc([N+](=O)[O-])c1)C(C(=O)O)=C(C)N2
InChIInChI=1S/C16H14N4O5/c1-8-11(16(21)22)12(9-4-3-5-10(6-9)20(23)24)13-14(19-8)17-7-18-15(13)25-2/h3-7,12H,1-2H3,(H,21,22)(H,17,18,19)
InChIKeyKJLPTGQIZRFFDJ-UHFFFAOYSA-N
XLogP2.31
TPSA127.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 141094935
(4S)-5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
CID 32627449
5-methoxycarbonyl-2-methyl-4-(3-nitrophenyl)-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxylic acid
CID 70054780
5-diethylphosphanyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
CID 70042847
methyl 5-amino-7-ethyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-1,8-naphthyridine-3-carboxylate
CID 71815092
5-ethoxycarbonyl-2-methyl-4-(3-nitrophenyl)-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxylic acid
CID 139664237
5-(butanoyloxymethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
CID 150471206
3-cycloheptyl-1,6-dimethyl-4-(3-nitrophenyl)-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 135726301
3-cyclohexyl-6-methyl-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylic acid
CID 23183510
2-methyl-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carboxylic acid
CID 20548335
5-[(2E,4E)-hexa-2,4-dienoxy]carbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
CID 14877574
5-(4-hydroxy-2-methylbutan-2-yl)oxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
CID 154477349

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 21298151) is 4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is COc1ncnc2c1C(c1cccc([N+](=O)[O-])c1)C(C(=O)O)=C(C)N2.
What is the InChIKey of 4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is KJLPTGQIZRFFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c1-8-11(16(21)22)12(9-4-3-5-10(6-9)20(23)24)13-14(19-8)17-7-18-15(13)25-2/h3-7,12H,1-2H3,(H,21,22)(H,17,18,19).
What are the key properties of 4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 342.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-5-(3-nitrophenyl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 21298151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).