N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide

C23H21F3N4O5 — CID 137303227

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1cc(Nc2nc(C(F)(F)F)ccc2C(=O)N/N=C/c2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C23H21F3N4O5/c1-33-17-10-14(11-18(34-2)20(17)35-3)28-21-16(8-9-19(29-21)23(24,25)26)22(32)30-27-12-13-4-6-15(31)7-5-13/h4-12,31H,1-3H3,(H,28,29)(H,30,32)/b27-12+
InChIKeyZOJOKIHORXLWLF-KKMKTNMSSA-N
MW490.44 g/mol
LogP4.34
Rot. Bonds8

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide (PubChem CID 137303227) has the molecular formula C23H21F3N4O5 and a molecular weight of 490.44 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
PubChem CID137303227
Molecular FormulaC23H21F3N4O5
Molecular Weight490.44 g/mol
Exact Mass490.15
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
SMILESCOc1cc(Nc2nc(C(F)(F)F)ccc2C(=O)N/N=C/c2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C23H21F3N4O5/c1-33-17-10-14(11-18(34-2)20(17)35-3)28-21-16(8-9-19(29-21)23(24,25)26)22(32)30-27-12-13-4-6-15(31)7-5-13/h4-12,31H,1-3H3,(H,28,29)(H,30,32)/b27-12+
InChIKeyZOJOKIHORXLWLF-KKMKTNMSSA-N
XLogP4.34
TPSA114.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.44
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

2-(5-chloro-2-methyl-anilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 24882415
2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 44456614
2-(2-chloroanilino)-6-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 46227868
2-(4-chloroanilino)-6-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 46227885
2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 45029124
2-(pyridin-4-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 137655645
N-methyl-2-[[5-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)-4-pyridinyl]amino]benzamide
CID 90667118
2-[[2-(3,4,5-Trimethoxyanilino)-4-pyridinyl]amino]benzamide
CID 90667133
6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 46227832
2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 46227869
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 134132706
N-[(E)-benzylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 134139172

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide (CID 137303227) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide is COc1cc(Nc2nc(C(F)(F)F)ccc2C(=O)N/N=C/c2ccc(O)cc2)cc(OC)c1OC.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is ZOJOKIHORXLWLF-KKMKTNMSSA-N. The full InChI is InChI=1S/C23H21F3N4O5/c1-33-17-10-14(11-18(34-2)20(17)35-3)28-21-16(8-9-19(29-21)23(24,25)26)22(32)30-27-12-13-4-6-15(31)7-5-13/h4-12,31H,1-3H3,(H,28,29)(H,30,32)/b27-12+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide has a molecular weight of 490.44 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 137303227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).