5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

C21H19F2N3O2 — CID 109245567

IUPAC5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cncc(Nc2c(F)cccc2F)c1
InChIInChI=1S/C21H19F2N3O2/c1-13(2)28-19-9-4-3-8-18(19)26-21(27)14-10-15(12-24-11-14)25-20-16(22)6-5-7-17(20)23/h3-13,25H,1-2H3,(H,26,27)
InChIKeyFSICEOVLMRVSDY-UHFFFAOYSA-N
MW383.40 g/mol
LogP5.14
Rot. Bonds6

About 5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109245567) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID109245567
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cncc(Nc2c(F)cccc2F)c1
InChIInChI=1S/C21H19F2N3O2/c1-13(2)28-19-9-4-3-8-18(19)26-21(27)14-10-15(12-24-11-14)25-20-16(22)6-5-7-17(20)23/h3-13,25H,1-2H3,(H,26,27)
InChIKeyFSICEOVLMRVSDY-UHFFFAOYSA-N
XLogP5.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241956
5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109244694
5-(2-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245416
N-(2-ethoxyphenyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109245387
N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223094
5-[2-(dimethylamino)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109229386
5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230003
5-N-(2,6-difluorophenyl)-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108890
5-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109246460
5-(2,6-difluoroanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109246109
2-(2-fluoroanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109268408
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109232172

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109245567) is 5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cncc(Nc2c(F)cccc2F)c1.
What is the InChIKey of 5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is FSICEOVLMRVSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-13(2)28-19-9-4-3-8-18(19)26-21(27)14-10-15(12-24-11-14)25-20-16(22)6-5-7-17(20)23/h3-13,25H,1-2H3,(H,26,27).
What are the key properties of 5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109245567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).