2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one

C12H8N4O — CID 135783091

IUPAC2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccnc2)nc2ncccc12
InChIInChI=1S/C12H8N4O/c17-12-9-4-2-6-14-11(9)15-10(16-12)8-3-1-5-13-7-8/h1-7H,(H,14,15,16,17)
InChIKeyZKLWJSLDNKUFSJ-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.38
Rot. Bonds1

About 2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one

2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135783091) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135783091
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC Name2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cccnc2)nc2ncccc12
InChIInChI=1S/C12H8N4O/c17-12-9-4-2-6-14-11(9)15-10(16-12)8-3-1-5-13-7-8/h1-7H,(H,14,15,16,17)
InChIKeyZKLWJSLDNKUFSJ-UHFFFAOYSA-N
XLogP1.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135783091) is 2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cccnc2)nc2ncccc12.
What is the InChIKey of 2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZKLWJSLDNKUFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c17-12-9-4-2-6-14-11(9)15-10(16-12)8-3-1-5-13-7-8/h1-7H,(H,14,15,16,17).
What are the key properties of 2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 224.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135783091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).