2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide

C12H10F2N4O — CID 62763594

IUPAC2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide
SMILESNC(=O)c1cc(NCc2cnccn2)c(F)cc1F
InChIInChI=1S/C12H10F2N4O/c13-9-4-10(14)11(3-8(9)12(15)19)18-6-7-5-16-1-2-17-7/h1-5,18H,6H2,(H2,15,19)
InChIKeyAMOZTAIVNWXGRX-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.47
Rot. Bonds4

About 2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide

2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide (PubChem CID 62763594) has the molecular formula C12H10F2N4O and a molecular weight of 264.24 g/mol. Its IUPAC name is 2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide
PubChem CID62763594
Molecular FormulaC12H10F2N4O
Molecular Weight264.24 g/mol
Exact Mass264.08
IUPAC Name2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide
SMILESNC(=O)c1cc(NCc2cnccn2)c(F)cc1F
InChIInChI=1S/C12H10F2N4O/c13-9-4-10(14)11(3-8(9)12(15)19)18-6-7-5-16-1-2-17-7/h1-5,18H,6H2,(H2,15,19)
InChIKeyAMOZTAIVNWXGRX-UHFFFAOYSA-N
XLogP1.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 12136798
CID 12136798
CID 78893
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CID 9800555
CID 9800555
CID 9903497
CID 9903497
CID 2306530
CID 2306530
CID 935612
CID 935612
CID 3780776
CID 3780776
CID 6398883
CID 6398883
CID 135567116
CID 135567116
CID 59226389
CID 59226389
CID 862105
CID 862105
CID 9462807
CID 9462807

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide?
The IUPAC name of 2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide (CID 62763594) is 2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide.
What is the SMILES notation for 2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide?
The canonical SMILES for 2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide is NC(=O)c1cc(NCc2cnccn2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide?
The InChIKey is AMOZTAIVNWXGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O/c13-9-4-10(14)11(3-8(9)12(15)19)18-6-7-5-16-1-2-17-7/h1-5,18H,6H2,(H2,15,19).
What are the key properties of 2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide?
2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide has a molecular weight of 264.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide is sourced from PubChem (CID 62763594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).