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

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

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Related Compounds

2-piperidin-1-yl-5-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135994656
5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135630025
5-phenyl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135873029
5-(4-phenylphenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135659156
2-piperidin-1-yl-5-thiophen-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135630035
5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 79431771
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136875362
5-(4-bromophenyl)-2-pyrrolidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135646531
2-piperidin-1-yl-3H-pteridin-4-one
CID 137198974
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587
(9S)-9-[(E)-2-phenylethenyl]-3-piperidin-1-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135928164
6-(4-chlorophenyl)-2-pyrrolidin-1-yl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 135631876

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).