4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C20H16F3N3O2 — CID 109221605

IUPAC4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccnc(C(=O)Nc3ccccc3C(F)(F)F)c2)c1
InChIInChI=1S/C20H16F3N3O2/c1-28-15-6-4-5-13(11-15)25-14-9-10-24-18(12-14)19(27)26-17-8-3-2-7-16(17)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyYUZOOEKJISFLIO-UHFFFAOYSA-N
MW387.36 g/mol
LogP5.10
Rot. Bonds5

About 4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109221605) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109221605
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccnc(C(=O)Nc3ccccc3C(F)(F)F)c2)c1
InChIInChI=1S/C20H16F3N3O2/c1-28-15-6-4-5-13(11-15)25-14-9-10-24-18(12-14)19(27)26-17-8-3-2-7-16(17)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyYUZOOEKJISFLIO-UHFFFAOYSA-N
XLogP5.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.36
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358798
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773
4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109219031
N-(2-tert-butylphenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220552
4-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109222054
N-phenyl-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109218783
N-(2,4-dichlorophenyl)-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109221628
5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109199921
4-(3-methoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219226
N-(2-fluorophenyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109220614
N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000476
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109221605) is 4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is COc1cccc(Nc2ccnc(C(=O)Nc3ccccc3C(F)(F)F)c2)c1.
What is the InChIKey of 4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is YUZOOEKJISFLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-28-15-6-4-5-13(11-15)25-14-9-10-24-18(12-14)19(27)26-17-8-3-2-7-16(17)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109221605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).