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

C22H20N4O — CID 135645527

IUPAC5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C22H20N4O/c27-21-19-18(17-9-8-15-6-2-3-7-16(15)14-17)10-11-23-20(19)24-22(25-21)26-12-4-1-5-13-26/h2-3,6-11,14H,1,4-5,12-13H2,(H,23,24,25,27)
InChIKeyKWCMRSUZGHHSLJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.13
Rot. Bonds2

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

5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135645527) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135645527
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C22H20N4O/c27-21-19-18(17-9-8-15-6-2-3-7-16(15)14-17)10-11-23-20(19)24-22(25-21)26-12-4-1-5-13-26/h2-3,6-11,14H,1,4-5,12-13H2,(H,23,24,25,27)
InChIKeyKWCMRSUZGHHSLJ-UHFFFAOYSA-N
XLogP4.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135645527) is 5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccc4ccccc4c3)c12.
What is the InChIKey of 5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is KWCMRSUZGHHSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-21-19-18(17-9-8-15-6-2-3-7-16(15)14-17)10-11-23-20(19)24-22(25-21)26-12-4-1-5-13-26/h2-3,6-11,14H,1,4-5,12-13H2,(H,23,24,25,27).
What are the key properties of 5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 356.43 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135645527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).