N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide

C19H13F4N3O — CID 109156594

IUPACN-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C19H13F4N3O/c20-13-4-2-1-3-11(13)9-25-19(27)12-5-8-16(24-10-12)26-15-7-6-14(21)17(22)18(15)23/h1-8,10H,9H2,(H,24,26)(H,25,27)
InChIKeyIUIGJFMAZCQSIJ-UHFFFAOYSA-N
MW375.33 g/mol
LogP4.31
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide

N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide (PubChem CID 109156594) has the molecular formula C19H13F4N3O and a molecular weight of 375.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
PubChem CID109156594
Molecular FormulaC19H13F4N3O
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC NameN-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccc(Nc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C19H13F4N3O/c20-13-4-2-1-3-11(13)9-25-19(27)12-5-8-16(24-10-12)26-15-7-6-14(21)17(22)18(15)23/h1-8,10H,9H2,(H,24,26)(H,25,27)
InChIKeyIUIGJFMAZCQSIJ-UHFFFAOYSA-N
XLogP4.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109158740
2-(2-fluorophenyl)-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]acetamide
CID 113023074
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042
methyl 3-[[5-[(2-fluorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109156580
6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156575
6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156577
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
N-[(2-fluorophenyl)methyl]-6-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109156514
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
CID 109157003
6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428
N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109164774
N-(3-chlorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109163462

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide (CID 109156594) is N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide is O=C(NCc1ccccc1F)c1ccc(Nc2ccc(F)c(F)c2F)nc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
The InChIKey is IUIGJFMAZCQSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O/c20-13-4-2-1-3-11(13)9-25-19(27)12-5-8-16(24-10-12)26-15-7-6-14(21)17(22)18(15)23/h1-8,10H,9H2,(H,24,26)(H,25,27).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide has a molecular weight of 375.33 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109156594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).