5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C20H16F3N3O2 — CID 109199921

IUPAC5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)nc2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-28-15-9-6-13(7-10-15)25-14-8-11-18(24-12-14)19(27)26-17-5-3-2-4-16(17)20(21,22)23/h2-12,25H,1H3,(H,26,27)
InChIKeyMWZKMVIWXVYRSN-UHFFFAOYSA-N
MW387.36 g/mol
LogP5.10
Rot. Bonds5

About 5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide

5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109199921) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109199921
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)nc2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-28-15-9-6-13(7-10-15)25-14-8-11-18(24-12-14)19(27)26-17-5-3-2-4-16(17)20(21,22)23/h2-12,25H,1H3,(H,26,27)
InChIKeyMWZKMVIWXVYRSN-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

5-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 104642157
5-(2,6-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109200277
4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109221605
N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198795
N-(2-tert-butylphenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220552
N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109195102
N-(2,4-difluorophenyl)-5-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200283
N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198223
6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358798
methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199882
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 90509411
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109199921) is 5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is COc1ccc(Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)nc2)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is MWZKMVIWXVYRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-28-15-9-6-13(7-10-15)25-14-8-11-18(24-12-14)19(27)26-17-5-3-2-4-16(17)20(21,22)23/h2-12,25H,1H3,(H,26,27).
What are the key properties of 5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
5-(4-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 5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109199921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).