5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one

C21H24N4O2 — CID 135904358

IUPAC5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCCOc1ccccc1-c1ccnc2nc(N3CCC(C)CC3)[nH]c(=O)c12
InChIInChI=1S/C21H24N4O2/c1-3-27-17-7-5-4-6-15(17)16-8-11-22-19-18(16)20(26)24-21(23-19)25-12-9-14(2)10-13-25/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,22,23,24,26)
InChIKeyLUJFXCQAXDXPDT-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.62
Rot. Bonds4

About 5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one

5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135904358) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135904358
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCCOc1ccccc1-c1ccnc2nc(N3CCC(C)CC3)[nH]c(=O)c12
InChIInChI=1S/C21H24N4O2/c1-3-27-17-7-5-4-6-15(17)16-8-11-22-19-18(16)20(26)24-21(23-19)25-12-9-14(2)10-13-25/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,22,23,24,26)
InChIKeyLUJFXCQAXDXPDT-UHFFFAOYSA-N
XLogP3.62
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135904358) is 5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one is CCOc1ccccc1-c1ccnc2nc(N3CCC(C)CC3)[nH]c(=O)c12.
What is the InChIKey of 5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is LUJFXCQAXDXPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-27-17-7-5-4-6-15(17)16-8-11-22-19-18(16)20(26)24-21(23-19)25-12-9-14(2)10-13-25/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,22,23,24,26).
What are the key properties of 5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one?
5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135904358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).