1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

C15H12N4O4 — CID 17160078

IUPAC1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(-c3cccc([N+](=O)[O-])c3)ccnc21
InChIInChI=1S/C15H12N4O4/c1-2-18-13-12(14(20)17-15(18)21)11(6-7-16-13)9-4-3-5-10(8-9)19(22)23/h3-8H,2H2,1H3,(H,17,20,21)
InChIKeyPFYUIVAJDWEZKG-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.68
Rot. Bonds3

About 1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 17160078) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID17160078
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c(=O)c2c(-c3cccc([N+](=O)[O-])c3)ccnc21
InChIInChI=1S/C15H12N4O4/c1-2-18-13-12(14(20)17-15(18)21)11(6-7-16-13)9-4-3-5-10(8-9)19(22)23/h3-8H,2H2,1H3,(H,17,20,21)
InChIKeyPFYUIVAJDWEZKG-UHFFFAOYSA-N
XLogP1.68
TPSA110.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-(3-methoxypropyl)-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidin-8-ium-2,4-dione
CID 78578245
2-(2,3-dihydroindol-1-yl)-5-(3-nitrophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135904316
3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one
CID 162519808
6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one
CID 70057334
3-ethyl-4-(3-nitrophenyl)-1H-pyridazin-6-one
CID 142714776
3-(3-nitrophenyl)-1H-pyrazine-2-thione
CID 106515750
3-ethyl-6-nitro-1H-quinazoline-2,4-dione
CID 115587409
ethyl 1-ethyl-2,4-dioxo-7-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 9467715
4-(3-nitrophenyl)-8-(trifluoromethyl)quinoline
CID 174518716
[1-ethyl-3-(3-nitrophenyl)pyrazol-5-yl]methanamine
CID 84761582
3-(chloromethyl)-4-ethyl-5-(3-nitrophenyl)-1,2,4-triazole
CID 115398128
3-benzyl-7-cyclopentyl-8-(3-nitrophenyl)purine-2,6-dione
CID 167799062

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 17160078) is 1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c(=O)c2c(-c3cccc([N+](=O)[O-])c3)ccnc21.
What is the InChIKey of 1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PFYUIVAJDWEZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c1-2-18-13-12(14(20)17-15(18)21)11(6-7-16-13)9-4-3-5-10(8-9)19(22)23/h3-8H,2H2,1H3,(H,17,20,21).
What are the key properties of 1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 312.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 17160078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).