4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

C20H16F3N3O2 — CID 109221903

IUPAC4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C20H16F3N3O2/c1-11-3-6-17(28-2)15(9-11)25-12-7-8-24-16(10-12)20(27)26-14-5-4-13(21)18(22)19(14)23/h3-10H,1-2H3,(H,24,25)(H,26,27)
InChIKeyCOFFBGQQCAHKLJ-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.81
Rot. Bonds5

About 4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide

4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 109221903) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
PubChem CID109221903
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C20H16F3N3O2/c1-11-3-6-17(28-2)15(9-11)25-12-7-8-24-16(10-12)20(27)26-14-5-4-13(21)18(22)19(14)23/h3-10H,1-2H3,(H,24,25)(H,26,27)
InChIKeyCOFFBGQQCAHKLJ-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

4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221419
N-(2,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109219739
N-(4-acetamidophenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109221888
5-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109293826
N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219162
4-(2-methoxy-5-methylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109201419
4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221381
4-(4-acetamidoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221861
4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222592
N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide
CID 109178240
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109213989
4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109217002

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide (CID 109221903) is 4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is COc1ccc(C)cc1Nc1ccnc(C(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of 4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is COFFBGQQCAHKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-11-3-6-17(28-2)15(9-11)25-12-7-8-24-16(10-12)20(27)26-14-5-4-13(21)18(22)19(14)23/h3-10H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide?
4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-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 4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109221903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).