4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid

C9H7N3O3 — CID 12818604

IUPAC4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESNc1c(C(=O)O)c(=O)[nH]c2ncccc12
InChIInChI=1S/C9H7N3O3/c10-6-4-2-1-3-11-7(4)12-8(13)5(6)9(14)15/h1-3H,(H,14,15)(H3,10,11,12,13)
InChIKeyFDBZDXTUWGEFQA-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.20
Rot. Bonds1

About 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid

4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid (PubChem CID 12818604) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid
PubChem CID12818604
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid
SMILESNc1c(C(=O)O)c(=O)[nH]c2ncccc12
InChIInChI=1S/C9H7N3O3/c10-6-4-2-1-3-11-7(4)12-8(13)5(6)9(14)15/h1-3H,(H,14,15)(H3,10,11,12,13)
InChIKeyFDBZDXTUWGEFQA-UHFFFAOYSA-N
XLogP0.20
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Nevirapin 2,4-Disubstituted deriv. 12e
CID 464566
2-Oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylic acid
CID 17750172
4-Hydroxy-1,2-dihydro-1,8-naphthyridin-2-one
CID 54714282
Methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate
CID 132990893
4-hydroxy-N-(3-methylpyridin-2-yl)-2-oxo-1-propyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54695776
3-Methyl-1,8-naphthyridine-2,4-diol
CID 54711863
3-[3-[(4-Methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoic acid
CID 118719596
3-(Pyridin-2-ylcarbamoyl)-acrylic acid
CID 1551264
4-Amino-1,2-Dihydro-2-Oxo-1,8-Naphthyridine-3-Carboxylic Acid Ethyl Ester
CID 12818603
1-Methyl-1,2-Dihydro-2-Oxo-4-(1-Pyrrolidinyl)-1,8-Naphthyridine-3-Carboxylic Acid Ethyl Ester
CID 12818607
1-Methyl-1,2-Dihydro-4-(4-Methyl-1-Piperazinyl)-2-Oxo-1,8-Naphthyridine-3-Carboxylic Acid Ethyl Ester
CID 12818610
Ethyl 4-amino-1-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
CID 12818614

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid (CID 12818604) is 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid is Nc1c(C(=O)O)c(=O)[nH]c2ncccc12.
What is the InChIKey of 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is FDBZDXTUWGEFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c10-6-4-2-1-3-11-7(4)12-8(13)5(6)9(14)15/h1-3H,(H,14,15)(H3,10,11,12,13).
What are the key properties of 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid?
4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 12818604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).