N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide

C20H16F3N3O2 — CID 109221654

IUPACN-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccc(C(F)(F)F)cc3)ccn2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-28-17-8-6-15(7-9-17)26-19(27)18-12-16(10-11-24-18)25-14-4-2-13(3-5-14)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyODRCVOXHNZCRKW-UHFFFAOYSA-N
MW387.36 g/mol
LogP5.10
Rot. Bonds5

About N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide

N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide (PubChem CID 109221654) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
PubChem CID109221654
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccc(C(F)(F)F)cc3)ccn2)cc1
InChIInChI=1S/C20H16F3N3O2/c1-28-17-8-6-15(7-9-17)26-19(27)18-12-16(10-11-24-18)25-14-4-2-13(3-5-14)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27)
InChIKeyODRCVOXHNZCRKW-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

N-(4-methoxyphenyl)-4-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109221648
4-(3-chloroanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109220984
N-(4-methoxyphenyl)-4-(methylamino)pyridine-2-carboxamide
CID 55042638
N-(2-fluorophenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220605
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
4-(2-tert-butylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109220562
N-(2-tert-butylphenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220552
4-(2,5-dichloroanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109221676
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773
4-(3-methoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219226
4-(3-methoxyanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109221601
N-(4-methoxyphenyl)-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109358939

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide (CID 109221654) is N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide is COc1ccc(NC(=O)c2cc(Nc3ccc(C(F)(F)F)cc3)ccn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
The InChIKey is ODRCVOXHNZCRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-28-17-8-6-15(7-9-17)26-19(27)18-12-16(10-11-24-18)25-14-4-2-13(3-5-14)20(21,22)23/h2-12H,1H3,(H,24,25)(H,26,27).
What are the key properties of N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide?
N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]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 N-(4-methoxyphenyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109221654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).