1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid

C20H19N5O3 — CID 53361004

IUPAC1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESC=Cn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4ccccn4)CC3)nc21
InChIInChI=1S/C20H19N5O3/c1-2-23-13-15(20(27)28)18(26)14-6-7-17(22-19(14)23)25-11-9-24(10-12-25)16-5-3-4-8-21-16/h2-8,13H,1,9-12H2,(H,27,28)
InChIKeyIRCLNVPXIQVDDA-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.92
Rot. Bonds4

About 1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid

1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 53361004) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID53361004
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESC=Cn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4ccccn4)CC3)nc21
InChIInChI=1S/C20H19N5O3/c1-2-23-13-15(20(27)28)18(26)14-6-7-17(22-19(14)23)25-11-9-24(10-12-25)16-5-3-4-8-21-16/h2-8,13H,1,9-12H2,(H,27,28)
InChIKeyIRCLNVPXIQVDDA-UHFFFAOYSA-N
XLogP1.92
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid (CID 53361004) is 1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid is C=Cn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4ccccn4)CC3)nc21.
What is the InChIKey of 1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is IRCLNVPXIQVDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-2-23-13-15(20(27)28)18(26)14-6-7-17(22-19(14)23)25-11-9-24(10-12-25)16-5-3-4-8-21-16/h2-8,13H,1,9-12H2,(H,27,28).
What are the key properties of 1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 377.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 53361004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).