4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid

C11H9N3O3 — CID 163383500

IUPAC4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid
SMILESNc1nc2ncc(C(=O)O)cc2c2c1COC2
InChIInChI=1S/C11H9N3O3/c12-9-8-4-17-3-7(8)6-1-5(11(15)16)2-13-10(6)14-9/h1-2H,3-4H2,(H,15,16)(H2,12,13,14)
InChIKeyNJXNGQZBAIAQHQ-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.94
Rot. Bonds1

About 4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid

4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid (PubChem CID 163383500) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid
PubChem CID163383500
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid
SMILESNc1nc2ncc(C(=O)O)cc2c2c1COC2
InChIInChI=1S/C11H9N3O3/c12-9-8-4-17-3-7(8)6-1-5(11(15)16)2-13-10(6)14-9/h1-2H,3-4H2,(H,15,16)(H2,12,13,14)
InChIKeyNJXNGQZBAIAQHQ-UHFFFAOYSA-N
XLogP0.94
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(cyclopropylmethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide
CID 163382760
4-amino-N-methyl-N-[6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxamide
CID 164866870
[1,2]oxazolo[3,4-b]pyridine-5-carboxylic acid
CID 84651760
5,6-diaminopyridine-3-carboxylic acid
CID 22476298
2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820572
4-amino-N-(2,2-dimethylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383203
(4-amino-1,3-dihydrofuro[3,4-c]quinolin-8-yl)-[(3R)-3-(5-bromo-2-pyridinyl)morpholin-4-yl]methanone
CID 164798767
3-cyclopropyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83881393
4-amino-N-[(5-bromo-2-pyridinyl)methyl]-N-cyclopropyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 163383432
5-amino-6-(oxetan-3-ylsulfanyl)pyridine-3-carboxylic acid
CID 81445836
6-[(3S)-4-(4-amino-1,3-dihydrofuro[3,4-c]quinoline-8-carbonyl)morpholin-3-yl]pyridine-3-carbonitrile
CID 164798713
3-carbamoyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 125497646

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid?
The IUPAC name of 4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid (CID 163383500) is 4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid?
The canonical SMILES for 4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid is Nc1nc2ncc(C(=O)O)cc2c2c1COC2.
What is the InChIKey of 4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid?
The InChIKey is NJXNGQZBAIAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c12-9-8-4-17-3-7(8)6-1-5(11(15)16)2-13-10(6)14-9/h1-2H,3-4H2,(H,15,16)(H2,12,13,14).
What are the key properties of 4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid?
4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dihydrofuro[3,4-c][1,8]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 163383500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).