6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide

C19H13F4N3O — CID 11057862

IUPAC6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2F)nc1Nc1ccc(F)cc1F
InChIInChI=1S/C19H13F4N3O/c1-10-2-5-17(19(27)26-16-7-4-12(21)9-14(16)23)25-18(10)24-15-6-3-11(20)8-13(15)22/h2-9H,1H3,(H,24,25)(H,26,27)
InChIKeyMKYGPVQVQIOZKW-UHFFFAOYSA-N
MW375.33 g/mol
LogP4.94
Rot. Bonds4

About 6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide

6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide (PubChem CID 11057862) has the molecular formula C19H13F4N3O and a molecular weight of 375.33 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide
PubChem CID11057862
Molecular FormulaC19H13F4N3O
Molecular Weight375.33 g/mol
Exact Mass375.10
IUPAC Name6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(F)cc2F)nc1Nc1ccc(F)cc1F
InChIInChI=1S/C19H13F4N3O/c1-10-2-5-17(19(27)26-16-7-4-12(21)9-14(16)23)25-18(10)24-15-6-3-11(20)8-13(15)22/h2-9H,1H3,(H,24,25)(H,26,27)
InChIKeyMKYGPVQVQIOZKW-UHFFFAOYSA-N
XLogP4.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide (CID 11057862) is 6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(F)cc2F)nc1Nc1ccc(F)cc1F.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide?
The InChIKey is MKYGPVQVQIOZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N3O/c1-10-2-5-17(19(27)26-16-7-4-12(21)9-14(16)23)25-18(10)24-15-6-3-11(20)8-13(15)22/h2-9H,1H3,(H,24,25)(H,26,27).
What are the key properties of 6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide?
6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide has a molecular weight of 375.33 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 11057862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).