4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one

C17H15N5O — CID 25113050

IUPAC4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one
SMILESO=C1CN(c2nc(-c3ccncc3)cc3cnccc23)CCN1
InChIInChI=1S/C17H15N5O/c23-16-11-22(8-7-20-16)17-14-3-6-19-10-13(14)9-15(21-17)12-1-4-18-5-2-12/h1-6,9-10H,7-8,11H2,(H,20,23)
InChIKeyVSSNHBWGDBKVPE-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.63
Rot. Bonds2

About 4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one

4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one (PubChem CID 25113050) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one
PubChem CID25113050
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one
SMILESO=C1CN(c2nc(-c3ccncc3)cc3cnccc23)CCN1
InChIInChI=1S/C17H15N5O/c23-16-11-22(8-7-20-16)17-14-3-6-19-10-13(14)9-15(21-17)12-1-4-18-5-2-12/h1-6,9-10H,7-8,11H2,(H,20,23)
InChIKeyVSSNHBWGDBKVPE-UHFFFAOYSA-N
XLogP1.63
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one?
The IUPAC name of 4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one (CID 25113050) is 4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one.
What is the SMILES notation for 4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one?
The canonical SMILES for 4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one is O=C1CN(c2nc(-c3ccncc3)cc3cnccc23)CCN1.
What is the InChIKey of 4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one?
The InChIKey is VSSNHBWGDBKVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-16-11-22(8-7-20-16)17-14-3-6-19-10-13(14)9-15(21-17)12-1-4-18-5-2-12/h1-6,9-10H,7-8,11H2,(H,20,23).
What are the key properties of 4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one?
4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one has a molecular weight of 305.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)piperazin-2-one is sourced from PubChem (CID 25113050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).