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

C18H17ClN4O — CID 135630025

IUPAC5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccccc3Cl)c12
InChIInChI=1S/C18H17ClN4O/c19-14-7-3-2-6-12(14)13-8-9-20-16-15(13)17(24)22-18(21-16)23-10-4-1-5-11-23/h2-3,6-9H,1,4-5,10-11H2,(H,20,21,22,24)
InChIKeyDADYPGHRDXEGEP-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.63
Rot. Bonds2

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

5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135630025) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135630025
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccccc3Cl)c12
InChIInChI=1S/C18H17ClN4O/c19-14-7-3-2-6-12(14)13-8-9-20-16-15(13)17(24)22-18(21-16)23-10-4-1-5-11-23/h2-3,6-9H,1,4-5,10-11H2,(H,20,21,22,24)
InChIKeyDADYPGHRDXEGEP-UHFFFAOYSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135630025) is 5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccccc3Cl)c12.
What is the InChIKey of 5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is DADYPGHRDXEGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-14-7-3-2-6-12(14)13-8-9-20-16-15(13)17(24)22-18(21-16)23-10-4-1-5-11-23/h2-3,6-9H,1,4-5,10-11H2,(H,20,21,22,24).
What are the key properties of 5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 340.81 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135630025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).