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

C19H19N5O3 — CID 44818820

IUPAC1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4ccccn4)CC3)nc21
InChIInChI=1S/C19H19N5O3/c1-22-12-14(19(26)27)17(25)13-5-6-16(21-18(13)22)24-10-8-23(9-11-24)15-4-2-3-7-20-15/h2-7,12H,8-11H2,1H3,(H,26,27)
InChIKeyJVCAQOZKOBOFEB-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.35
Rot. Bonds3

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

1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 44818820) 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)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID44818820
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4ccccn4)CC3)nc21
InChIInChI=1S/C19H19N5O3/c1-22-12-14(19(26)27)17(25)13-5-6-16(21-18(13)22)24-10-8-23(9-11-24)15-4-2-3-7-20-15/h2-7,12H,8-11H2,1H3,(H,26,27)
InChIKeyJVCAQOZKOBOFEB-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

Analyze 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

Nalidixic Acid
CID 4421
Enoxacin
CID 3229
Amfonelic Acid
CID 2137
1-Ethyl-6-fluoro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 461335
6-Fluoro-1-methyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid
CID 463720
6-Amino-1-methyl-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid
CID 481127
2-[4-(Benzoylcarbamothioyl)piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 1936909
8-Fluoro-1-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967789
1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-
CID 461876
1-Ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 3057926
1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-ethenyl-6-fluoro-4-oxo-7-(1-piperazinyl)-
CID 3057927
1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-6-fluoro-1-(2-fluoroethyl)-7-(4-methyl-1-piperazinyl)-4-oxo-
CID 3069001

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid (CID 44818820) is 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4ccccn4)CC3)nc21.
What is the InChIKey of 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is JVCAQOZKOBOFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-22-12-14(19(26)27)17(25)13-5-6-16(21-18(13)22)24-10-8-23(9-11-24)15-4-2-3-7-20-15/h2-7,12H,8-11H2,1H3,(H,26,27).
What are the key properties of 1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-naphthyridine-3-carboxylic acid?
1-methyl-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)-1,8-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)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 44818820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).