N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide

C17H21FN4O — CID 124752606

IUPACN-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)[C@H](C)Cc2cnccn2)cc1F
InChIInChI=1S/C17H21FN4O/c1-12-4-5-14(9-16(12)18)21-17(23)11-22(3)13(2)8-15-10-19-6-7-20-15/h4-7,9-10,13H,8,11H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyJZJXQMPMYLIRBE-CYBMUJFWSA-N
MW316.38 g/mol
LogP2.43
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide

N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide (PubChem CID 124752606) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide
PubChem CID124752606
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)[C@H](C)Cc2cnccn2)cc1F
InChIInChI=1S/C17H21FN4O/c1-12-4-5-14(9-16(12)18)21-17(23)11-22(3)13(2)8-15-10-19-6-7-20-15/h4-7,9-10,13H,8,11H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyJZJXQMPMYLIRBE-CYBMUJFWSA-N
XLogP2.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913099
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]acetamide
CID 91835494
2-[butan-2-yl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60834710
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442693
N-(3-fluoro-4-methylphenyl)-2-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53162224
N-(3-fluoro-4-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683583
methyl 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660462
3-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60835214
N-(3-fluoro-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964620
N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706053
N-(3-fluoro-4-methylphenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62021403
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9045618

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide (CID 124752606) is N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide is Cc1ccc(NC(=O)CN(C)[C@H](C)Cc2cnccn2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide?
The InChIKey is JZJXQMPMYLIRBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12-4-5-14(9-16(12)18)21-17(23)11-22(3)13(2)8-15-10-19-6-7-20-15/h4-7,9-10,13H,8,11H2,1-3H3,(H,21,23)/t13-/m1/s1.
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide?
N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide has a molecular weight of 316.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]acetamide is sourced from PubChem (CID 124752606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).