1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide

C21H15ClF3N3O2 — CID 110524357

IUPAC1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1cccc(C(F)(F)F)c1)c1cccn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C21H15ClF3N3O2/c22-18-9-2-1-6-15(18)13-28-10-4-8-17(20(28)30)19(29)27-26-12-14-5-3-7-16(11-14)21(23,24)25/h1-12H,13H2,(H,27,29)/b26-12-
InChIKeyKSKSXIOELNVAST-ZRGSRPPYSA-N
MW433.82 g/mol
LogP4.33
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 110524357) has the molecular formula C21H15ClF3N3O2 and a molecular weight of 433.82 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID110524357
Molecular FormulaC21H15ClF3N3O2
Molecular Weight433.82 g/mol
Exact Mass433.08
IUPAC Name1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1cccc(C(F)(F)F)c1)c1cccn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C21H15ClF3N3O2/c22-18-9-2-1-6-15(18)13-28-10-4-8-17(20(28)30)19(29)27-26-12-14-5-3-7-16(11-14)21(23,24)25/h1-12H,13H2,(H,27,29)/b26-12-
InChIKeyKSKSXIOELNVAST-ZRGSRPPYSA-N
XLogP4.33
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.82
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-tert-butylphenyl)methylideneamino]-1-[(2-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524425
1-[(2-chlorophenyl)methyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524447
1-[(2-chlorophenyl)methyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524431
1-[(2-chlorophenyl)methyl]-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524367
1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110524427
N-[(Z)-(3-chlorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524095
1-[(3,4-dichlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524251
2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4924395
N-[(Z)-(3-fluorophenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524014
1-ethyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523428
1-[(4-methoxyphenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524556
1-[(3-chlorophenyl)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524342

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide (CID 110524357) is 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide is O=C(N/N=C\c1cccc(C(F)(F)F)c1)c1cccn(Cc2ccccc2Cl)c1=O.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is KSKSXIOELNVAST-ZRGSRPPYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O2/c22-18-9-2-1-6-15(18)13-28-10-4-8-17(20(28)30)19(29)27-26-12-14-5-3-7-16(11-14)21(23,24)25/h1-12H,13H2,(H,27,29)/b26-12-.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 433.82 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-oxo-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 110524357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).