N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

C23H20F6N4O3 — CID 135354923

About N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 135354923) has the molecular formula C23H20F6N4O3 and a molecular weight of 514.43 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 135354923
• Molecular Formula: C23H20F6N4O3
• Molecular Weight: 514.43 g/mol
• Exact Mass: 514.14
• IUPAC Name: N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
• SMILES: CN(CCO)c1ccc2c(=O)c(C(=O)NC(C3CC3)C(F)(F)F)cn(-c3c(F)cc(F)cc3F)c2n1
• InChI: InChI=1S/C23H20F6N4O3/c1-32(6-7-34)17-5-4-13-19(35)14(22(36)31-20(11-2-3-11)23(27,28)29)10-33(21(13)30-17)18-15(25)8-12(24)9-16(18)26/h4-5,8-11,20,34H,2-3,6-7H2,1H3,(H,31,36)
• InChIKey: XWPPBODLEKAZKA-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.43
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide (CID 135354923) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is CN(CCO)c1ccc2c(=O)c(C(=O)NC(C3CC3)C(F)(F)F)cn(-c3c(F)cc(F)cc3F)c2n1.

What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

The InChIKey is XWPPBODLEKAZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F6N4O3/c1-32(6-7-34)17-5-4-13-19(35)14(22(36)31-20(11-2-3-11)23(27,28)29)10-33(21(13)30-17)18-15(25)8-12(24)9-16(18)26/h4-5,8-11,20,34H,2-3,6-7H2,1H3,(H,31,36).

What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide?

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 514.43 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-[2-hydroxyethyl(methyl)amino]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135354923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).