6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide

C16H15F2N3O2 — CID 71990783

IUPAC6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)Cc2cc(F)ccc2F)n1
InChIInChI=1S/C16H15F2N3O2/c1-21(2)16(23)13-4-3-5-14(19-13)20-15(22)9-10-8-11(17)6-7-12(10)18/h3-8H,9H2,1-2H3,(H,19,20,22)
InChIKeyHOWORUJCHUOFKK-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.24
Rot. Bonds4

About 6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide

6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 71990783) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID71990783
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)Cc2cc(F)ccc2F)n1
InChIInChI=1S/C16H15F2N3O2/c1-21(2)16(23)13-4-3-5-14(19-13)20-15(22)9-10-8-11(17)6-7-12(10)18/h3-8H,9H2,1-2H3,(H,19,20,22)
InChIKeyHOWORUJCHUOFKK-UHFFFAOYSA-N
XLogP2.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide (CID 71990783) is 6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cccc(NC(=O)Cc2cc(F)ccc2F)n1.
What is the InChIKey of 6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is HOWORUJCHUOFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-21(2)16(23)13-4-3-5-14(19-13)20-15(22)9-10-8-11(17)6-7-12(10)18/h3-8H,9H2,1-2H3,(H,19,20,22).
What are the key properties of 6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide?
6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 319.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,5-difluorophenyl)acetyl]amino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 71990783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).