8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one

C21H31N5O — CID 18375238

IUPAC8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NCCCN3CCCCC3)nc2n1C1CCCCC1
InChIInChI=1S/C21H31N5O/c27-19-11-10-17-16-23-21(22-12-7-15-25-13-5-2-6-14-25)24-20(17)26(19)18-8-3-1-4-9-18/h10-11,16,18H,1-9,12-15H2,(H,22,23,24)
InChIKeyMWDWQLRXDKQXBE-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.58
Rot. Bonds6

About 8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one

8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 18375238) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID18375238
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NCCCN3CCCCC3)nc2n1C1CCCCC1
InChIInChI=1S/C21H31N5O/c27-19-11-10-17-16-23-21(22-12-7-15-25-13-5-2-6-14-25)24-20(17)26(19)18-8-3-1-4-9-18/h10-11,16,18H,1-9,12-15H2,(H,22,23,24)
InChIKeyMWDWQLRXDKQXBE-UHFFFAOYSA-N
XLogP3.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-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 8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one (CID 18375238) is 8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(NCCCN3CCCCC3)nc2n1C1CCCCC1.
What is the InChIKey of 8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MWDWQLRXDKQXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c27-19-11-10-17-16-23-21(22-12-7-15-25-13-5-2-6-14-25)24-20(17)26(19)18-8-3-1-4-9-18/h10-11,16,18H,1-9,12-15H2,(H,22,23,24).
What are the key properties of 8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 369.51 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18375238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).