N-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide

C18H12F3N3O2S — CID 174239516

IUPACN-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(NN=Cc1cccs1)c1cc(-c2ccc(OC(F)(F)F)cc2)ccn1
InChIInChI=1S/C18H12F3N3O2S/c19-18(20,21)26-14-5-3-12(4-6-14)13-7-8-22-16(10-13)17(25)24-23-11-15-2-1-9-27-15/h1-11H,(H,24,25)
InChIKeySKARCCDQINCQEG-UHFFFAOYSA-N
MW391.37 g/mol
LogP4.47
Rot. Bonds5

About N-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide

N-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 174239516) has the molecular formula C18H12F3N3O2S and a molecular weight of 391.37 g/mol. Its IUPAC name is N-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
PubChem CID174239516
Molecular FormulaC18H12F3N3O2S
Molecular Weight391.37 g/mol
Exact Mass391.06
IUPAC NameN-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(NN=Cc1cccs1)c1cc(-c2ccc(OC(F)(F)F)cc2)ccn1
InChIInChI=1S/C18H12F3N3O2S/c19-18(20,21)26-14-5-3-12(4-6-14)13-7-8-22-16(10-13)17(25)24-23-11-15-2-1-9-27-15/h1-11H,(H,24,25)
InChIKeySKARCCDQINCQEG-UHFFFAOYSA-N
XLogP4.47
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(thiophen-2-ylmethylideneamino)pyridine-2-carboxamide
CID 760257
N-[(Z)-thiophen-2-ylmethylideneamino]pyrazine-2-carboxamide
CID 5395279
3-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5412743
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 167451113
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
3-(4-octoxyphenyl)-N-(thiophen-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 3542747
3-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 795193
5-(4-ethoxyphenyl)-N-(thiophen-2-ylmethylideneamino)furan-2-carboxamide
CID 174239538
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
3-(4-methoxyphenyl)-4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5410247
[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
CID 1356844
2-oxo-6-thiophen-2-yl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrimidine-4-carboxamide
CID 110525744

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (CID 174239516) is N-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is O=C(NN=Cc1cccs1)c1cc(-c2ccc(OC(F)(F)F)cc2)ccn1.
What is the InChIKey of N-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is SKARCCDQINCQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2S/c19-18(20,21)26-14-5-3-12(4-6-14)13-7-8-22-16(10-13)17(25)24-23-11-15-2-1-9-27-15/h1-11H,(H,24,25).
What are the key properties of N-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
N-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 391.37 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethylideneamino)-4-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 174239516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).