4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide

C21H16FN5O2 — CID 58094292

IUPAC4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc(-c3ccc(F)nc3)cc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C21H16FN5O2/c1-23-20(28)12-2-5-15(6-3-12)26-19-18-13(8-9-24-21(18)29)10-16(27-19)14-4-7-17(22)25-11-14/h2-11H,1H3,(H,23,28)(H,24,29)(H,26,27)
InChIKeyJFDIQUJGZSGIDP-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.23
Rot. Bonds4

About 4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide

4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide (PubChem CID 58094292) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide
PubChem CID58094292
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2nc(-c3ccc(F)nc3)cc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C21H16FN5O2/c1-23-20(28)12-2-5-15(6-3-12)26-19-18-13(8-9-24-21(18)29)10-16(27-19)14-4-7-17(22)25-11-14/h2-11H,1H3,(H,23,28)(H,24,29)(H,26,27)
InChIKeyJFDIQUJGZSGIDP-UHFFFAOYSA-N
XLogP3.23
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide
CID 58094069
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889
N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide
CID 58166750
6-(2-aminopyrimidin-5-yl)-8-[4-methyl-3-(methylamino)anilino]-2H-2,7-naphthyridin-1-one
CID 58093697
6-(6-methoxy-3-pyridinyl)-8-(4-piperidin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094107
8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 58093885
4-[[8-oxo-3-(1-piperidin-4-ylpyrazol-4-yl)-7H-2,7-naphthyridin-1-yl]amino]benzamide
CID 174626793
6-(6-amino-3-pyridinyl)-8-[4-(oxan-4-yloxy)anilino]-2H-2,7-naphthyridin-1-one
CID 58093834
2-tert-butyl-5-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]pyridine-3-carboxamide
CID 174612371
1-[2-[4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]phenyl]ethyl]piperidine-3-carboxylic acid
CID 58094064
4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide
CID 58094255
8-[4-(4-hydroxypiperidin-1-yl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 58094084

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide (CID 58094292) is 4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide is CNC(=O)c1ccc(Nc2nc(-c3ccc(F)nc3)cc3cc[nH]c(=O)c23)cc1.
What is the InChIKey of 4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide?
The InChIKey is JFDIQUJGZSGIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-23-20(28)12-2-5-15(6-3-12)26-19-18-13(8-9-24-21(18)29)10-16(27-19)14-4-7-17(22)25-11-14/h2-11H,1H3,(H,23,28)(H,24,29)(H,26,27).
What are the key properties of 4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide?
4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide has a molecular weight of 389.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(6-fluoro-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 58094292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).