4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one

C14H11N5O — CID 170970500

IUPAC4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccnc(Nc3cccnc3)n2)cc[nH]1
InChIInChI=1S/C14H11N5O/c20-13-8-10(3-6-16-13)12-4-7-17-14(19-12)18-11-2-1-5-15-9-11/h1-9H,(H,16,20)(H,17,18,19)
InChIKeyDJDNSIRPMGAZBI-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.97
Rot. Bonds3

About 4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one

4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one (PubChem CID 170970500) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one
PubChem CID170970500
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccnc(Nc3cccnc3)n2)cc[nH]1
InChIInChI=1S/C14H11N5O/c20-13-8-10(3-6-16-13)12-4-7-17-14(19-12)18-11-2-1-5-15-9-11/h1-9H,(H,16,20)(H,17,18,19)
InChIKeyDJDNSIRPMGAZBI-UHFFFAOYSA-N
XLogP1.97
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one (CID 170970500) is 4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one is O=c1cc(-c2ccnc(Nc3cccnc3)n2)cc[nH]1.
What is the InChIKey of 4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one?
The InChIKey is DJDNSIRPMGAZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c20-13-8-10(3-6-16-13)12-4-7-17-14(19-12)18-11-2-1-5-15-9-11/h1-9H,(H,16,20)(H,17,18,19).
What are the key properties of 4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one?
4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one has a molecular weight of 265.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridin-3-ylamino)pyrimidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 170970500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).