2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C15H21N5O — CID 122178090

IUPAC2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(NC3CCNCC3)nc21
InChIInChI=1S/C15H21N5O/c1-10(2)20-13(21)4-3-11-9-17-15(19-14(11)20)18-12-5-7-16-8-6-12/h3-4,9-10,12,16H,5-8H2,1-2H3,(H,17,18,19)
InChIKeyHYQSBBALXSYEMH-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.54
Rot. Bonds3

About 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 122178090) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID122178090
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)ccc2cnc(NC3CCNCC3)nc21
InChIInChI=1S/C15H21N5O/c1-10(2)20-13(21)4-3-11-9-17-15(19-14(11)20)18-12-5-7-16-8-6-12/h3-4,9-10,12,16H,5-8H2,1-2H3,(H,17,18,19)
InChIKeyHYQSBBALXSYEMH-UHFFFAOYSA-N
XLogP1.54
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 122178090) is 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)ccc2cnc(NC3CCNCC3)nc21.
What is the InChIKey of 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HYQSBBALXSYEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)20-13(21)4-3-11-9-17-15(19-14(11)20)18-12-5-7-16-8-6-12/h3-4,9-10,12,16H,5-8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 287.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 122178090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).