(2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide

C18H21FN4O3 — CID 146526316

IUPAC(2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3F)cn2)CCO1
InChIInChI=1S/C18H21FN4O3/c1-12-3-4-15(14(19)7-12)26-17-9-21-13(8-22-17)10-23-5-6-25-16(11-23)18(24)20-2/h3-4,7-9,16H,5-6,10-11H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyLTPRQGCLGGENCK-INIZCTEOSA-N
MW360.39 g/mol
LogP1.66
Rot. Bonds5

About (2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide

(2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide (PubChem CID 146526316) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is (2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
PubChem CID146526316
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name(2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3F)cn2)CCO1
InChIInChI=1S/C18H21FN4O3/c1-12-3-4-15(14(19)7-12)26-17-9-21-13(8-22-17)10-23-5-6-25-16(11-23)18(24)20-2/h3-4,7-9,16H,5-6,10-11H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyLTPRQGCLGGENCK-INIZCTEOSA-N
XLogP1.66
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazine-2-carboxylic acid [2-(2-p-tolyloxy-acetylamino)-ethyl]-amide
CID 6498568
N-(2-{[(3,4-dimethylphenoxy)acetyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498569
Pyrazine-2-carboxylic acid [2-(2-m-tolyloxy-acetylamino)-ethyl]-amide
CID 6498567
N-(3-{[(3,4-dimethylphenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498595
2-[[4-Hydroxy-1-[[5-(4-methylphenoxy)pyrazin-2-yl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 73051912
US11166958, Example 30
CID 146526237
US11166958, Example 36
CID 146526251
US11166958, Example 35
CID 146526307
US11166958, Example 5
CID 146526322
US11166958, Example 31
CID 146526328
US11166958, Example 1
CID 146526330
US11166958, Example 6
CID 146526461

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide (CID 146526316) is (2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide is CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3F)cn2)CCO1.
What is the InChIKey of (2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is LTPRQGCLGGENCK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-12-3-4-15(14(19)7-12)26-17-9-21-13(8-22-17)10-23-5-6-25-16(11-23)18(24)20-2/h3-4,7-9,16H,5-6,10-11H2,1-2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
(2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 146526316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).