N-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide

C14H15FN4O — CID 169421132

IUPACN-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(Nc2nc(C)cnc2C)c1
InChIInChI=1S/C14H15FN4O/c1-8-7-16-9(2)14(17-8)19-13-6-11(18-10(3)20)4-5-12(13)15/h4-7H,1-3H3,(H,17,19)(H,18,20)
InChIKeyQZXCIISESDNZCR-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.93
Rot. Bonds3

About N-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide

N-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide (PubChem CID 169421132) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide
PubChem CID169421132
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC NameN-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(Nc2nc(C)cnc2C)c1
InChIInChI=1S/C14H15FN4O/c1-8-7-16-9(2)14(17-8)19-13-6-11(18-10(3)20)4-5-12(13)15/h4-7H,1-3H3,(H,17,19)(H,18,20)
InChIKeyQZXCIISESDNZCR-UHFFFAOYSA-N
XLogP2.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-fluoro-3-[(5-formyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]carbamic acid
CID 90374373
4-[(3,6-dimethylpyrazin-2-yl)amino]benzoic acid
CID 65419247
N-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide
CID 102613382
N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749373
N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 81311947
N-(5-acetamido-2-fluorophenyl)-3,5-difluoro-4-hydroxybenzamide
CID 86786071
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide
CID 43778939
N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63971441
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide
CID 34067729
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
CID 43672597

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide (CID 169421132) is N-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(Nc2nc(C)cnc2C)c1.
What is the InChIKey of N-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide?
The InChIKey is QZXCIISESDNZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-8-7-16-9(2)14(17-8)19-13-6-11(18-10(3)20)4-5-12(13)15/h4-7H,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide?
N-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide has a molecular weight of 274.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide is sourced from PubChem (CID 169421132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).