5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one

C20H19ClN4O — CID 135994722

IUPAC5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2nccc(/C=C/c3cccc(Cl)c3)c12
InChIInChI=1S/C20H19ClN4O/c21-16-6-4-5-14(13-16)7-8-15-9-10-22-18-17(15)19(26)24-20(23-18)25-11-2-1-3-12-25/h4-10,13H,1-3,11-12H2,(H,22,23,24,26)/b8-7+
InChIKeyOBSWXQLFVNTAPO-BQYQJAHWSA-N
MW366.85 g/mol
LogP4.13
Rot. Bonds3

About 5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one

5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135994722) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135994722
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2nccc(/C=C/c3cccc(Cl)c3)c12
InChIInChI=1S/C20H19ClN4O/c21-16-6-4-5-14(13-16)7-8-15-9-10-22-18-17(15)19(26)24-20(23-18)25-11-2-1-3-12-25/h4-10,13H,1-3,11-12H2,(H,22,23,24,26)/b8-7+
InChIKeyOBSWXQLFVNTAPO-BQYQJAHWSA-N
XLogP4.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135994722) is 5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(N2CCCCC2)nc2nccc(/C=C/c3cccc(Cl)c3)c12.
What is the InChIKey of 5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is OBSWXQLFVNTAPO-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-16-6-4-5-14(13-16)7-8-15-9-10-22-18-17(15)19(26)24-20(23-18)25-11-2-1-3-12-25/h4-10,13H,1-3,11-12H2,(H,22,23,24,26)/b8-7+.
What are the key properties of 5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 366.85 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135994722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).