1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid

C19H19N5O3 — CID 3012862

IUPAC1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(c4ccccn4)CC3)cc21
InChIInChI=1S/C19H19N5O3/c1-22-12-14(19(26)27)18(25)13-11-21-17(10-15(13)22)24-8-6-23(7-9-24)16-4-2-3-5-20-16/h2-5,10-12H,6-9H2,1H3,(H,26,27)
InChIKeyVTJFIJLITWNFGN-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.35
Rot. Bonds3

About 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid

1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid (PubChem CID 3012862) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid
PubChem CID3012862
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(c4ccccn4)CC3)cc21
InChIInChI=1S/C19H19N5O3/c1-22-12-14(19(26)27)18(25)13-11-21-17(10-15(13)22)24-8-6-23(7-9-24)16-4-2-3-5-20-16/h2-5,10-12H,6-9H2,1H3,(H,26,27)
InChIKeyVTJFIJLITWNFGN-UHFFFAOYSA-N
XLogP1.35
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid (CID 3012862) is 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2cnc(N3CCN(c4ccccn4)CC3)cc21.
What is the InChIKey of 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is VTJFIJLITWNFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-22-12-14(19(26)27)18(25)13-11-21-17(10-15(13)22)24-8-6-23(7-9-24)16-4-2-3-5-20-16/h2-5,10-12H,6-9H2,1H3,(H,26,27).
What are the key properties of 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid?
1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 3012862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).