(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

C14H14FN3O2 — CID 99974191

IUPAC(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
SMILESCN(Cc1cnccn1)C(=O)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O2/c1-18(9-12-8-16-6-7-17-12)14(20)13(19)10-2-4-11(15)5-3-10/h2-8,13,19H,9H2,1H3/t13-/m0/s1
InChIKeyLYJMTZYZCNQOMV-ZDUSSCGKSA-N
MW275.28 g/mol
LogP1.31
Rot. Bonds4

About (2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide (PubChem CID 99974191) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
PubChem CID99974191
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
SMILESCN(Cc1cnccn1)C(=O)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O2/c1-18(9-12-8-16-6-7-17-12)14(20)13(19)10-2-4-11(15)5-3-10/h2-8,13,19H,9H2,1H3/t13-/m0/s1
InChIKeyLYJMTZYZCNQOMV-ZDUSSCGKSA-N
XLogP1.31
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide
CID 99929265
3-[(2R)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 95969377
(2S)-2-amino-N,4-dimethyl-N-(pyrazin-2-ylmethyl)pentanamide
CID 119867897
4-(4-fluorophenyl)-N,5-dimethyl-N-(pyrazin-2-ylmethyl)thiophene-2-carboxamide
CID 71856751
N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine
CID 74239331
1-[methyl(pyrazin-2-ylmethyl)amino]propan-2-ol
CID 62333203
(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81348280
4-[2-[[2-(5-fluoro-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]-N-methyl-N-(pyrazin-2-ylmethyl)benzamide
CID 123270984
2-(2-bromophenoxy)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 84594812
2-(3-fluoro-N-methylsulfonylanilino)-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 50951637
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 90651685
(2R)-2-(4-fluorophenyl)-2-piperidin-1-yl-N-(2-pyrazin-2-ylethyl)acetamide
CID 125166147

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide (CID 99974191) is (2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide is CN(Cc1cnccn1)C(=O)[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The InChIKey is LYJMTZYZCNQOMV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-18(9-12-8-16-6-7-17-12)14(20)13(19)10-2-4-11(15)5-3-10/h2-8,13,19H,9H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide has a molecular weight of 275.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide is sourced from PubChem (CID 99974191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).