N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide

C20H16F3N3O2 — CID 109178240

IUPACN-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C20H16F3N3O2/c1-11-3-6-16(28-2)15(9-11)26-20(27)12-7-8-24-17(10-12)25-14-5-4-13(21)18(22)19(14)23/h3-10H,1-2H3,(H,24,25)(H,26,27)
InChIKeyLPHPKICKPMJHGH-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.81
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide

N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide (PubChem CID 109178240) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide
PubChem CID109178240
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C20H16F3N3O2/c1-11-3-6-16(28-2)15(9-11)26-20(27)12-7-8-24-17(10-12)25-14-5-4-13(21)18(22)19(14)23/h3-10H,1-2H3,(H,24,25)(H,26,27)
InChIKeyLPHPKICKPMJHGH-UHFFFAOYSA-N
XLogP4.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109177730
2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109176772
5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109293826
N-(4-ethylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109176882
4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109221903
2-(5-chloro-2-methoxyanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176285
N-(2,4-dimethoxyphenyl)-2-(2,5-dimethylanilino)pyridine-4-carboxamide
CID 109176642
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108515639
N-(2,5-dimethoxyphenyl)-2-(4-methylanilino)pyridine-4-carboxamide
CID 109176317
N-(3-acetylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109178248
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide (CID 109178240) is N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide is COc1ccc(C)cc1NC(=O)c1ccnc(Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide?
The InChIKey is LPHPKICKPMJHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-11-3-6-16(28-2)15(9-11)26-20(27)12-7-8-24-17(10-12)25-14-5-4-13(21)18(22)19(14)23/h3-10H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109178240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).