methyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate

C16H13N3O3 — CID 5369473

IUPACmethyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(=O)c2c(C)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C16H13N3O3/c1-9-13-12(20)8-11(16(21)22-2)18-15(13)19-14(17-9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,17,18,19,20)
InChIKeyLEGPAFJPIUHIJP-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.08
Rot. Bonds2

About methyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate

methyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate (PubChem CID 5369473) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is methyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate
PubChem CID5369473
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Namemethyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(=O)c2c(C)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C16H13N3O3/c1-9-13-12(20)8-11(16(21)22-2)18-15(13)19-14(17-9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,17,18,19,20)
InChIKeyLEGPAFJPIUHIJP-UHFFFAOYSA-N
XLogP2.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate?
The IUPAC name of methyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate (CID 5369473) is methyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate is COC(=O)c1cc(=O)c2c(C)nc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of methyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate?
The InChIKey is LEGPAFJPIUHIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-9-13-12(20)8-11(16(21)22-2)18-15(13)19-14(17-9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,17,18,19,20).
What are the key properties of methyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate?
methyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate has a molecular weight of 295.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 5369473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).