ethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

C17H17N5O6 — CID 23739571

IUPACethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2nc(=O)[nH]c(N)c2C1c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N5O6/c1-3-28-16(24)11-7(2)19-15-13(14(18)20-17(25)21-15)12(11)8-4-5-10(23)9(6-8)22(26)27/h4-6,12,23H,3H2,1-2H3,(H4,18,19,20,21,25)
InChIKeyPPJQDMGQXJQCMR-UHFFFAOYSA-N
MW387.35 g/mol
LogP1.36
Rot. Bonds4

About ethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 23739571) has the molecular formula C17H17N5O6 and a molecular weight of 387.35 g/mol. Its IUPAC name is ethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID23739571
Molecular FormulaC17H17N5O6
Molecular Weight387.35 g/mol
Exact Mass387.12
IUPAC Nameethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2nc(=O)[nH]c(N)c2C1c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N5O6/c1-3-28-16(24)11-7(2)19-15-13(14(18)20-17(25)21-15)12(11)8-4-5-10(23)9(6-8)22(26)27/h4-6,12,23H,3H2,1-2H3,(H4,18,19,20,21,25)
InChIKeyPPJQDMGQXJQCMR-UHFFFAOYSA-N
XLogP1.36
TPSA173.47 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 51.36
H-Bond Donors ≤ 54
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

propan-2-yl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-sulfanylidene-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 23993203
methyl 4-amino-5-(3-hydroxyphenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 23851017
ethyl (7R)-7-(4-hydroxy-3-nitrophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 725483
2-methoxyethyl (4R)-4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7065195
2-ethylbutyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 23829545
2-methylpropyl (4R)-4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 819350
15-amino-11-(4-hydroxy-3-nitrophenyl)-8,14,16,18-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12(17),15-hexaene-9,13-dione
CID 135620625
ethyl (5S)-5-(3,4-dichlorophenyl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135923402
methyl (4R)-4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1014704
[(2S)-2-methylpentyl] (4R)-4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7088979
ethyl (5S)-4-(4-chloroanilino)-7-methyl-2-oxo-5-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 70822155
ethyl (4S)-4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 94842089

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 23739571) is ethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)Nc2nc(=O)[nH]c(N)c2C1c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of ethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is PPJQDMGQXJQCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O6/c1-3-28-16(24)11-7(2)19-15-13(14(18)20-17(25)21-15)12(11)8-4-5-10(23)9(6-8)22(26)27/h4-6,12,23H,3H2,1-2H3,(H4,18,19,20,21,25).
What are the key properties of ethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 387.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-(4-hydroxy-3-nitrophenyl)-7-methyl-2-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 23739571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).