2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one

C13H16N4O — CID 175780766

IUPAC2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncc2cc(C3CCNCC3)c(=O)[nH]c2n1
InChIInChI=1S/C13H16N4O/c1-8-15-7-10-6-11(9-2-4-14-5-3-9)13(18)17-12(10)16-8/h6-7,9,14H,2-5H2,1H3,(H,15,16,17,18)
InChIKeyYBGAGGLORQFJPL-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.09
Rot. Bonds1

About 2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one

2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 175780766) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID175780766
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncc2cc(C3CCNCC3)c(=O)[nH]c2n1
InChIInChI=1S/C13H16N4O/c1-8-15-7-10-6-11(9-2-4-14-5-3-9)13(18)17-12(10)16-8/h6-7,9,14H,2-5H2,1H3,(H,15,16,17,18)
InChIKeyYBGAGGLORQFJPL-UHFFFAOYSA-N
XLogP1.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 175780766) is 2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one is Cc1ncc2cc(C3CCNCC3)c(=O)[nH]c2n1.
What is the InChIKey of 2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YBGAGGLORQFJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-15-7-10-6-11(9-2-4-14-5-3-9)13(18)17-12(10)16-8/h6-7,9,14H,2-5H2,1H3,(H,15,16,17,18).
What are the key properties of 2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one?
2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 244.30 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperidin-4-yl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175780766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).