N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C20H14ClF3N4O — CID 71722152

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1cccc(Cl)c1)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14ClF3N4O/c21-15-6-1-4-13(10-15)12-26-28-19(29)17-8-3-9-25-18(17)27-16-7-2-5-14(11-16)20(22,23)24/h1-12H,(H,25,27)(H,28,29)/b26-12+
InChIKeyOMBVOYLMWAWERW-RPPGKUMJSA-N
MW418.81 g/mol
LogP5.26
Rot. Bonds5

About N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 71722152) has the molecular formula C20H14ClF3N4O and a molecular weight of 418.81 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID71722152
Molecular FormulaC20H14ClF3N4O
Molecular Weight418.81 g/mol
Exact Mass418.08
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1cccc(Cl)c1)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14ClF3N4O/c21-15-6-1-4-13(10-15)12-26-28-19(29)17-8-3-9-25-18(17)27-16-7-2-5-14(11-16)20(22,23)24/h1-12H,(H,25,27)(H,28,29)/b26-12+
InChIKeyOMBVOYLMWAWERW-RPPGKUMJSA-N
XLogP5.26
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.81
LogP ≤ 55.26
H-Bond Donors ≤ 52
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-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 55932397
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 5134541
2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632330
2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4924395
N'-(1H-pyrrole-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
CID 78813930
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide;hydrochloride
CID 119455649
2-dimethoxyphosphoryl-1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]ethanone
CID 89290625
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 119450033
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 71722152) is N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is O=C(N/N=C/c1cccc(Cl)c1)c1cccnc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is OMBVOYLMWAWERW-RPPGKUMJSA-N. The full InChI is InChI=1S/C20H14ClF3N4O/c21-15-6-1-4-13(10-15)12-26-28-19(29)17-8-3-9-25-18(17)27-16-7-2-5-14(11-16)20(22,23)24/h1-12H,(H,25,27)(H,28,29)/b26-12+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 418.81 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 71722152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).