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

C19H23FN4O3 — CID 146526328

IUPAC(2S)-N-ethyl-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]morpholine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3F)cn2)CCO1
InChIInChI=1S/C19H23FN4O3/c1-3-21-19(25)17-12-24(6-7-26-17)11-14-9-23-18(10-22-14)27-16-5-4-13(2)8-15(16)20/h4-5,8-10,17H,3,6-7,11-12H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyPTOXOYGTOGJZGJ-KRWDZBQOSA-N
MW374.42 g/mol
LogP2.05
Rot. Bonds6

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

(2S)-N-ethyl-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]morpholine-2-carboxamide (PubChem CID 146526328) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is (2S)-N-ethyl-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]morpholine-2-carboxamide
PubChem CID146526328
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name(2S)-N-ethyl-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]morpholine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3F)cn2)CCO1
InChIInChI=1S/C19H23FN4O3/c1-3-21-19(25)17-12-24(6-7-26-17)11-14-9-23-18(10-22-14)27-16-5-4-13(2)8-15(16)20/h4-5,8-10,17H,3,6-7,11-12H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKeyPTOXOYGTOGJZGJ-KRWDZBQOSA-N
XLogP2.05
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]morpholine-2-carboxamide (CID 146526328) is (2S)-N-ethyl-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]morpholine-2-carboxamide is CCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(C)cc3F)cn2)CCO1.
What is the InChIKey of (2S)-N-ethyl-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]morpholine-2-carboxamide?
The InChIKey is PTOXOYGTOGJZGJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-3-21-19(25)17-12-24(6-7-26-17)11-14-9-23-18(10-22-14)27-16-5-4-13(2)8-15(16)20/h4-5,8-10,17H,3,6-7,11-12H2,1-2H3,(H,21,25)/t17-/m0/s1.
What are the key properties of (2S)-N-ethyl-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]morpholine-2-carboxamide?
(2S)-N-ethyl-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]morpholine-2-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-4-[[5-(2-fluoro-4-methylphenoxy)pyrazin-2-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 146526328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).