2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one

C18H24N6O2 — CID 138374295

IUPAC2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCN1CCCC2C(=O)N=C(N3CCN(Cc4ncccc4O)CC3)N=C21
InChIInChI=1S/C18H24N6O2/c1-22-7-3-4-13-16(22)20-18(21-17(13)26)24-10-8-23(9-11-24)12-14-15(25)5-2-6-19-14/h2,5-6,13,25H,3-4,7-12H2,1H3
InChIKeyDZTIAOLAXWPQSQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.54
Rot. Bonds2

About 2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one

2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 138374295) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
PubChem CID138374295
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESCN1CCCC2C(=O)N=C(N3CCN(Cc4ncccc4O)CC3)N=C21
InChIInChI=1S/C18H24N6O2/c1-22-7-3-4-13-16(22)20-18(21-17(13)26)24-10-8-23(9-11-24)12-14-15(25)5-2-6-19-14/h2,5-6,13,25H,3-4,7-12H2,1H3
InChIKeyDZTIAOLAXWPQSQ-UHFFFAOYSA-N
XLogP0.54
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (CID 138374295) is 2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is CN1CCCC2C(=O)N=C(N3CCN(Cc4ncccc4O)CC3)N=C21.
What is the InChIKey of 2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is DZTIAOLAXWPQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-22-7-3-4-13-16(22)20-18(21-17(13)26)24-10-8-23(9-11-24)12-14-15(25)5-2-6-19-14/h2,5-6,13,25H,3-4,7-12H2,1H3.
What are the key properties of 2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 356.43 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-hydroxy-2-pyridinyl)methyl]piperazin-1-yl]-8-methyl-4a,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138374295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).