8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one

C25H33N5O2 — CID 5330245

IUPAC8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1
InChIInChI=1S/C25H33N5O2/c1-3-29(4-2)16-17-32-22-13-11-20(12-14-22)27-25-26-18-19-10-15-23(31)30(24(19)28-25)21-8-6-5-7-9-21/h10-15,18,21H,3-9,16-17H2,1-2H3,(H,26,27,28)
InChIKeyVJIYHBKZMXXTAX-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.76
Rot. Bonds9

About 8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one

8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330245) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5330245
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1
InChIInChI=1S/C25H33N5O2/c1-3-29(4-2)16-17-32-22-13-11-20(12-14-22)27-25-26-18-19-10-15-23(31)30(24(19)28-25)21-8-6-5-7-9-21/h10-15,18,21H,3-9,16-17H2,1-2H3,(H,26,27,28)
InChIKeyVJIYHBKZMXXTAX-UHFFFAOYSA-N
XLogP4.76
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one (CID 5330245) is 8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one is CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(C4CCCCC4)c3n2)cc1.
What is the InChIKey of 8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VJIYHBKZMXXTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-3-29(4-2)16-17-32-22-13-11-20(12-14-22)27-25-26-18-19-10-15-23(31)30(24(19)28-25)21-8-6-5-7-9-21/h10-15,18,21H,3-9,16-17H2,1-2H3,(H,26,27,28).
What are the key properties of 8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one?
8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 435.57 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).