4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine

C17H23N5O — CID 46882147

IUPAC4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
SMILESCC1CCCN(c2nc(N3CCOCC3)c3cccnc3n2)C1
InChIInChI=1S/C17H23N5O/c1-13-4-3-7-22(12-13)17-19-15-14(5-2-6-18-15)16(20-17)21-8-10-23-11-9-21/h2,5-6,13H,3-4,7-12H2,1H3
InChIKeyDWBHJEBUQBIWCO-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.10
Rot. Bonds2

About 4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine

4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 46882147) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID46882147
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine
SMILESCC1CCCN(c2nc(N3CCOCC3)c3cccnc3n2)C1
InChIInChI=1S/C17H23N5O/c1-13-4-3-7-22(12-13)17-19-15-14(5-2-6-18-15)16(20-17)21-8-10-23-11-9-21/h2,5-6,13H,3-4,7-12H2,1H3
InChIKeyDWBHJEBUQBIWCO-UHFFFAOYSA-N
XLogP2.10
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine (CID 46882147) is 4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine is CC1CCCN(c2nc(N3CCOCC3)c3cccnc3n2)C1.
What is the InChIKey of 4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is DWBHJEBUQBIWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-4-3-7-22(12-13)17-19-15-14(5-2-6-18-15)16(20-17)21-8-10-23-11-9-21/h2,5-6,13H,3-4,7-12H2,1H3.
What are the key properties of 4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine?
4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 313.40 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylpiperidin-1-yl)pyrido[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 46882147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).