N-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide

C15H17FN4O — CID 102613382

IUPACN-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(C)c2nccnc2C)c1
InChIInChI=1S/C15H17FN4O/c1-9-15(18-7-6-17-9)10(2)19-14-8-12(20-11(3)21)4-5-13(14)16/h4-8,10,19H,1-3H3,(H,20,21)
InChIKeyVVHNLZQMMQBAIS-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.06
Rot. Bonds4

About N-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide

N-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide (PubChem CID 102613382) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide
PubChem CID102613382
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC NameN-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(C)c2nccnc2C)c1
InChIInChI=1S/C15H17FN4O/c1-9-15(18-7-6-17-9)10(2)19-14-8-12(20-11(3)21)4-5-13(14)16/h4-8,10,19H,1-3H3,(H,20,21)
InChIKeyVVHNLZQMMQBAIS-UHFFFAOYSA-N
XLogP3.06
TPSA66.91 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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-[1-(3-methylphenyl)ethylamino]phenyl]acetamide
CID 43778944
N-[2-fluoro-5-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 60927576
N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
CID 43672597
N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide
CID 43672568
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
N-[2-fluoro-5-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 60928627
2-(5-acetamido-2-fluoroanilino)butanoic acid
CID 115352424
N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide
CID 43778939
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid
CID 61455348
N-[3-[(3,6-dimethylpyrazin-2-yl)amino]-4-fluorophenyl]acetamide
CID 169421132
N-(4-fluoro-3-methylsulfanylphenyl)acetamide
CID 91881077

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide (CID 102613382) is N-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide is CC(=O)Nc1ccc(F)c(NC(C)c2nccnc2C)c1.
What is the InChIKey of N-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide?
The InChIKey is VVHNLZQMMQBAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-9-15(18-7-6-17-9)10(2)19-14-8-12(20-11(3)21)4-5-13(14)16/h4-8,10,19H,1-3H3,(H,20,21).
What are the key properties of N-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide?
N-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide has a molecular weight of 288.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[1-(3-methylpyrazin-2-yl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 102613382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).