3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide

C15H17FN4O — CID 122185555

IUPAC3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1nc(-c2ccccc2F)cnc1N
InChIInChI=1S/C15H17FN4O/c1-3-9(2)19-15(21)13-14(17)18-8-12(20-13)10-6-4-5-7-11(10)16/h4-9H,3H2,1-2H3,(H2,17,18)(H,19,21)
InChIKeyCDHAXXJWYHDFSC-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.39
Rot. Bonds4

About 3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide

3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide (PubChem CID 122185555) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide
PubChem CID122185555
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide
SMILESCCC(C)NC(=O)c1nc(-c2ccccc2F)cnc1N
InChIInChI=1S/C15H17FN4O/c1-3-9(2)19-15(21)13-14(17)18-8-12(20-13)10-6-4-5-7-11(10)16/h4-9H,3H2,1-2H3,(H2,17,18)(H,19,21)
InChIKeyCDHAXXJWYHDFSC-UHFFFAOYSA-N
XLogP2.39
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Asp-5854
CID 24810000
3-Amino-N-(2'-Amino-6'-Methyl[4,4'-Bipyridin]-3-Yl)-6-(2-Fluorophenyl)pyridine-2-Carboxamide
CID 68161871
5,6-Diaryl-pyrazine-2-amide derivative, 6b
CID 10309464
3-Amino-N-Methyl-6-[3-(1h-Tetrazol-5-Yl)phenyl]pyrazine-2-Carboxamide
CID 10357196
3-amino-N-[4-(2-amino-4-pyridinyl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 68161034
3-amino-N-[4-(2-amino-6-methyl-4-pyridinyl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68163204
3-Amino-N-[4-(4-amino-1-piperidinyl)-3-pyridinyl]-6-phenyl-2-pyrazinecarboxamide
CID 68187629
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[6-(dimethylamino)-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873182
N-(5-methyl-2-pyridinyl)pyrazine-2-carboxamide
CID 3419952
N-isopropyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440708
N-isopentyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440709
3-Amino-6-{3-[(Methylsulfonyl)amino]phenyl}-N-(Piperidin-4-Ylmethyl)pyrazine-2-Carboxamide
CID 56947174

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide (CID 122185555) is 3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide is CCC(C)NC(=O)c1nc(-c2ccccc2F)cnc1N.
What is the InChIKey of 3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide?
The InChIKey is CDHAXXJWYHDFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-3-9(2)19-15(21)13-14(17)18-8-12(20-13)10-6-4-5-7-11(10)16/h4-9H,3H2,1-2H3,(H2,17,18)(H,19,21).
What are the key properties of 3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide?
3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-6-(2-fluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 122185555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).