6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid

C24H22N6O4 — CID 123798843

IUPAC6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)nc1
InChIInChI=1S/C24H22N6O4/c31-23-21-15(7-8-25-23)13-20(28-19-6-1-16(14-26-19)24(32)33)29-22(21)27-17-2-4-18(5-3-17)30-9-11-34-12-10-30/h1-8,13-14H,9-12H2,(H,25,31)(H,32,33)(H2,26,27,28,29)
InChIKeyGESBCBSHPKLELR-UHFFFAOYSA-N
MW458.48 g/mol
LogP3.34
Rot. Bonds6

About 6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid

6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid (PubChem CID 123798843) has the molecular formula C24H22N6O4 and a molecular weight of 458.48 g/mol. Its IUPAC name is 6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid
PubChem CID123798843
Molecular FormulaC24H22N6O4
Molecular Weight458.48 g/mol
Exact Mass458.17
IUPAC Name6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)nc1
InChIInChI=1S/C24H22N6O4/c31-23-21-15(7-8-25-23)13-20(28-19-6-1-16(14-26-19)24(32)33)29-22(21)27-17-2-4-18(5-3-17)30-9-11-34-12-10-30/h1-8,13-14H,9-12H2,(H,25,31)(H,32,33)(H2,26,27,28,29)
InChIKeyGESBCBSHPKLELR-UHFFFAOYSA-N
XLogP3.34
TPSA132.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 50925324
6-chloro-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 86649544
7-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]-4H-1,4-benzoxazin-3-one
CID 66888308
6-(2,3-dimethylanilino)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one;methanamine
CID 143841410
2-tert-butyl-5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]pyridine-3-carboxamide
CID 174612371
6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887661
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889
8-(4-morpholin-4-ylanilino)-6-(2-propan-2-ylsulfonylanilino)-2H-2,7-naphthyridin-1-one
CID 66887970
6-(2-amino-6-methylpyrimidin-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093783
6-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887642
6-(3,6-dihydro-2H-pyran-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58166613
6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094050

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid (CID 123798843) is 6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(Nc2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)cc3)n2)nc1.
What is the InChIKey of 6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is GESBCBSHPKLELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4/c31-23-21-15(7-8-25-23)13-20(28-19-6-1-16(14-26-19)24(32)33)29-22(21)27-17-2-4-18(5-3-17)30-9-11-34-12-10-30/h1-8,13-14H,9-12H2,(H,25,31)(H,32,33)(H2,26,27,28,29).
What are the key properties of 6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid?
6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 458.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 123798843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).