5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide

C14H14F2N4O — CID 109271349

IUPAC5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C14H14F2N4O/c1-8(2)19-14(21)11-6-18-12(7-17-11)20-13-9(15)4-3-5-10(13)16/h3-8H,1-2H3,(H,18,20)(H,19,21)
InChIKeyXYTKWOOAJZBWRV-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.64
Rot. Bonds4

About 5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide

5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 109271349) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID109271349
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C14H14F2N4O/c1-8(2)19-14(21)11-6-18-12(7-17-11)20-13-9(15)4-3-5-10(13)16/h3-8H,1-2H3,(H,18,20)(H,19,21)
InChIKeyXYTKWOOAJZBWRV-UHFFFAOYSA-N
XLogP2.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109787
5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271317
N-(2,3-dichlorophenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109294623
5-(2,6-difluoroanilino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294504
5-(2,6-difluoroanilino)-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109291880
5-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290763
5-(2,6-difluoroanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282275
N-propan-2-yl-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109271325
N-(3-chloro-4-methylphenyl)-5-(2,6-difluoroanilino)pyrazine-2-carboxamide
CID 109293155
5-hydrazinyl-N-propan-2-ylpyrazine-2-carboxamide
CID 107377682
5-(2,6-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284776
methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109271303

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of 5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide (CID 109271349) is 5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide is CC(C)NC(=O)c1cnc(Nc2c(F)cccc2F)cn1.
What is the InChIKey of 5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is XYTKWOOAJZBWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-8(2)19-14(21)11-6-18-12(7-17-11)20-13-9(15)4-3-5-10(13)16/h3-8H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide?
5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.64, 4 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-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109271349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).