N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide

C23H22N6O3 — CID 58166750

IUPACN-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(Nc2nc(-c3cnc(C)nc3)cc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C23H22N6O3/c1-14-26-12-17(13-27-14)19-11-16-7-8-24-23(31)20(16)21(29-19)28-18-5-3-15(4-6-18)22(30)25-9-10-32-2/h3-8,11-13H,9-10H2,1-2H3,(H,24,31)(H,25,30)(H,28,29)
InChIKeyXCTSUDURVZOYNZ-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.81
Rot. Bonds7

About N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide

N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide (PubChem CID 58166750) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide
PubChem CID58166750
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC NameN-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(Nc2nc(-c3cnc(C)nc3)cc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C23H22N6O3/c1-14-26-12-17(13-27-14)19-11-16-7-8-24-23(31)20(16)21(29-19)28-18-5-3-15(4-6-18)22(30)25-9-10-32-2/h3-8,11-13H,9-10H2,1-2H3,(H,24,31)(H,25,30)(H,28,29)
InChIKeyXCTSUDURVZOYNZ-UHFFFAOYSA-N
XLogP2.81
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide
CID 58094292
4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide
CID 58093631
4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide
CID 58094069
4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide
CID 58094255
8-[4-(1-methylpiperidin-4-yl)anilino]-6-(6-methyl-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 58094511
6-(2-amino-6-methylpyrimidin-4-yl)-8-[4-[1-(2-methoxyethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 66888594
6-[2-(methylamino)pyrimidin-5-yl]-8-[4-(2-morpholin-4-ylethyl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094165
6-(2-aminopyrimidin-5-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094223
8-[4-(4-hydroxypiperidin-1-yl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58094084
8-[4-[1-(2-methoxyethyl)pyrrolidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
CID 58093683
6-(2-methoxypyrimidin-5-yl)-8-[4-piperidin-4-yl-3-(trifluoromethyl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094475
4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide
CID 174626793

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide (CID 58166750) is N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide is COCCNC(=O)c1ccc(Nc2nc(-c3cnc(C)nc3)cc3cc[nH]c(=O)c23)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide?
The InChIKey is XCTSUDURVZOYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-14-26-12-17(13-27-14)19-11-16-7-8-24-23(31)20(16)21(29-19)28-18-5-3-15(4-6-18)22(30)25-9-10-32-2/h3-8,11-13H,9-10H2,1-2H3,(H,24,31)(H,25,30)(H,28,29).
What are the key properties of N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide?
N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide has a molecular weight of 430.47 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide is sourced from PubChem (CID 58166750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).