4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one

C13H9N5O2 — CID 89005817

IUPAC4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESO=Nc1ccc(Nc2ncnc3[nH]ccc(=O)c23)cc1
InChIInChI=1S/C13H9N5O2/c19-10-5-6-14-12-11(10)13(16-7-15-12)17-8-1-3-9(18-20)4-2-8/h1-7H,(H2,14,15,16,17,19)
InChIKeyWLZQHVNMECZRLS-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.46
Rot. Bonds3

About 4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one

4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 89005817) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID89005817
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESO=Nc1ccc(Nc2ncnc3[nH]ccc(=O)c23)cc1
InChIInChI=1S/C13H9N5O2/c19-10-5-6-14-12-11(10)13(16-7-15-12)17-8-1-3-9(18-20)4-2-8/h1-7H,(H2,14,15,16,17,19)
InChIKeyWLZQHVNMECZRLS-UHFFFAOYSA-N
XLogP2.46
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one (CID 89005817) is 4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one is O=Nc1ccc(Nc2ncnc3[nH]ccc(=O)c23)cc1.
What is the InChIKey of 4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is WLZQHVNMECZRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c19-10-5-6-14-12-11(10)13(16-7-15-12)17-8-1-3-9(18-20)4-2-8/h1-7H,(H2,14,15,16,17,19).
What are the key properties of 4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one?
4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 267.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrosoanilino)-8H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 89005817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).