4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide

C20H20F3N5O2 — CID 58094255

IUPAC4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)cc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C20H20F3N5O2/c1-2-8-24-18(29)12-3-5-14(6-4-12)27-17-16-13(7-9-25-19(16)30)10-15(28-17)26-11-20(21,22)23/h3-7,9-10H,2,8,11H2,1H3,(H,24,29)(H,25,30)(H2,26,27,28)
InChIKeyCVDCPMKNPJQCFB-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.78
Rot. Bonds7

About 4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide

4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide (PubChem CID 58094255) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is 4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide
PubChem CID58094255
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC Name4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)cc3cc[nH]c(=O)c23)cc1
InChIInChI=1S/C20H20F3N5O2/c1-2-8-24-18(29)12-3-5-14(6-4-12)27-17-16-13(7-9-25-19(16)30)10-15(28-17)26-11-20(21,22)23/h3-7,9-10H,2,8,11H2,1H3,(H,24,29)(H,25,30)(H2,26,27,28)
InChIKeyCVDCPMKNPJQCFB-UHFFFAOYSA-N
XLogP3.78
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide with MolForge

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Related Compounds

4-[[3-[1-(2-methylpropyl)pyrazol-4-yl]-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide
CID 58093631
N-(2-methoxyethyl)-4-[[3-(2-methylpyrimidin-5-yl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]benzamide
CID 58166750
4-[1-[4-[(E)-2-amino-2-(2,2,2-trifluoroethylamino)ethenyl]-2-oxo-1H-pyridin-3-yl]ethenylamino]-N-propylbenzamide
CID 89162107
4-[[3-(2,6-dimethyl-3-pyridinyl)-8-oxo-7H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide
CID 58094069
N-(2-pyrrolidin-1-ylethyl)-4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 71201256
5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
CID 109222873
N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide
CID 126829249
4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 53078145
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 50783837
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
4-[[2-(4-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54813322
2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103762808

Frequently Asked Questions

What is the IUPAC name of 4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide (CID 58094255) is 4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)cc3cc[nH]c(=O)c23)cc1.
What is the InChIKey of 4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide?
The InChIKey is CVDCPMKNPJQCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c1-2-8-24-18(29)12-3-5-14(6-4-12)27-17-16-13(7-9-25-19(16)30)10-15(28-17)26-11-20(21,22)23/h3-7,9-10H,2,8,11H2,1H3,(H,24,29)(H,25,30)(H2,26,27,28).
What are the key properties of 4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide?
4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide has a molecular weight of 419.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-oxo-3-(2,2,2-trifluoroethylamino)-7H-2,7-naphthyridin-1-yl]amino]-N-propylbenzamide is sourced from PubChem (CID 58094255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).