4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C17H26N4O2 — CID 53193751

IUPAC4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1CCC(=O)N2CCCOC1CCN(C)CC1
InChIInChI=1S/C17H26N4O2/c1-13-15-4-5-16(22)21(17(15)19-12-18-13)8-3-11-23-14-6-9-20(2)10-7-14/h12,14H,3-11H2,1-2H3
InChIKeyOGGXDBODUZWKTB-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.57
Rot. Bonds5

About 4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 53193751) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID53193751
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1CCC(=O)N2CCCOC1CCN(C)CC1
InChIInChI=1S/C17H26N4O2/c1-13-15-4-5-16(22)21(17(15)19-12-18-13)8-3-11-23-14-6-9-20(2)10-7-14/h12,14H,3-11H2,1-2H3
InChIKeyOGGXDBODUZWKTB-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 53193751) is 4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1ncnc2c1CCC(=O)N2CCCOC1CCN(C)CC1.
What is the InChIKey of 4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OGGXDBODUZWKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13-15-4-5-16(22)21(17(15)19-12-18-13)8-3-11-23-14-6-9-20(2)10-7-14/h12,14H,3-11H2,1-2H3.
What are the key properties of 4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 318.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-[3-(1-methylpiperidin-4-yl)oxypropyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53193751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).