2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one

C19H14N4O2 — CID 134809944

IUPAC2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one
SMILESCN(c1ccccc1)c1cc(=O)c2ccnc(-c3cncnc3)c2o1
InChIInChI=1S/C19H14N4O2/c1-23(14-5-3-2-4-6-14)17-9-16(24)15-7-8-22-18(19(15)25-17)13-10-20-12-21-11-13/h2-12H,1H3
InChIKeyOLMFMJUDRBWTOE-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.41
Rot. Bonds3

About 2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one

2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one (PubChem CID 134809944) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one
PubChem CID134809944
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one
SMILESCN(c1ccccc1)c1cc(=O)c2ccnc(-c3cncnc3)c2o1
InChIInChI=1S/C19H14N4O2/c1-23(14-5-3-2-4-6-14)17-9-16(24)15-7-8-22-18(19(15)25-17)13-10-20-12-21-11-13/h2-12H,1H3
InChIKeyOLMFMJUDRBWTOE-UHFFFAOYSA-N
XLogP3.41
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one?
The IUPAC name of 2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one (CID 134809944) is 2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one is CN(c1ccccc1)c1cc(=O)c2ccnc(-c3cncnc3)c2o1.
What is the InChIKey of 2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one?
The InChIKey is OLMFMJUDRBWTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-23(14-5-3-2-4-6-14)17-9-16(24)15-7-8-22-18(19(15)25-17)13-10-20-12-21-11-13/h2-12H,1H3.
What are the key properties of 2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one?
2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one has a molecular weight of 330.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-8-pyrimidin-5-ylpyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 134809944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).