4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one

C20H15N5O — CID 142533764

IUPAC4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(-c2ccnc(Nc3ccccc3)n2)cc(-c2ccncc2)[nH]1
InChIInChI=1S/C20H15N5O/c26-19-13-15(12-18(24-19)14-6-9-21-10-7-14)17-8-11-22-20(25-17)23-16-4-2-1-3-5-16/h1-13H,(H,24,26)(H,22,23,25)
InChIKeyXPYHHTPXESGWCC-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.64
Rot. Bonds4

About 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one

4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 142533764) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one
PubChem CID142533764
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(-c2ccnc(Nc3ccccc3)n2)cc(-c2ccncc2)[nH]1
InChIInChI=1S/C20H15N5O/c26-19-13-15(12-18(24-19)14-6-9-21-10-7-14)17-8-11-22-20(25-17)23-16-4-2-1-3-5-16/h1-13H,(H,24,26)(H,22,23,25)
InChIKeyXPYHHTPXESGWCC-UHFFFAOYSA-N
XLogP3.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one (CID 142533764) is 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one is O=c1cc(-c2ccnc(Nc3ccccc3)n2)cc(-c2ccncc2)[nH]1.
What is the InChIKey of 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is XPYHHTPXESGWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c26-19-13-15(12-18(24-19)14-6-9-21-10-7-14)17-8-11-22-20(25-17)23-16-4-2-1-3-5-16/h1-13H,(H,24,26)(H,22,23,25).
What are the key properties of 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one?
4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 341.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilinopyrimidin-4-yl)-6-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 142533764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).