N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide

C17H11F3N4O2 — CID 135529797

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc2cccnc2nc1C(F)(F)F
InChIInChI=1S/C17H11F3N4O2/c18-17(19,20)14-12(8-10-5-3-7-21-15(10)23-14)16(26)24-22-9-11-4-1-2-6-13(11)25/h1-9,25H,(H,24,26)/b22-9+
InChIKeyXFIZWHSHGZOORZ-LSFURLLWSA-N
MW360.30 g/mol
LogP3.12
Rot. Bonds3

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 135529797) has the molecular formula C17H11F3N4O2 and a molecular weight of 360.30 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
PubChem CID135529797
Molecular FormulaC17H11F3N4O2
Molecular Weight360.30 g/mol
Exact Mass360.08
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc2cccnc2nc1C(F)(F)F
InChIInChI=1S/C17H11F3N4O2/c18-17(19,20)14-12(8-10-5-3-7-21-15(10)23-14)16(26)24-22-9-11-4-1-2-6-13(11)25/h1-9,25H,(H,24,26)/b22-9+
InChIKeyXFIZWHSHGZOORZ-LSFURLLWSA-N
XLogP3.12
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 135708601
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide
CID 135611787
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
CID 3596715
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246
3,5-dichloro-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135578608
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 137133430
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327017
2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 17126515
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide
CID 155558267

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide (CID 135529797) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide is O=C(N/N=C/c1ccccc1O)c1cc2cccnc2nc1C(F)(F)F.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is XFIZWHSHGZOORZ-LSFURLLWSA-N. The full InChI is InChI=1S/C17H11F3N4O2/c18-17(19,20)14-12(8-10-5-3-7-21-15(10)23-14)16(26)24-22-9-11-4-1-2-6-13(11)25/h1-9,25H,(H,24,26)/b22-9+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 360.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135529797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).