(2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide

C18H21ClN4O3 — CID 146526248

IUPAC(2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3Cl)cn2)CCO1
InChIInChI=1S/C18H21ClN4O3/c1-2-20-18(24)16-12-23(7-8-25-16)11-13-9-22-17(10-21-13)26-15-6-4-3-5-14(15)19/h3-6,9-10,16H,2,7-8,11-12H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyQFPIDWGLTUZNJS-INIZCTEOSA-N
MW376.84 g/mol
LogP2.26
Rot. Bonds6

About (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide

(2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide (PubChem CID 146526248) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide
PubChem CID146526248
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name(2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3Cl)cn2)CCO1
InChIInChI=1S/C18H21ClN4O3/c1-2-20-18(24)16-12-23(7-8-25-16)11-13-9-22-17(10-21-13)26-15-6-4-3-5-14(15)19/h3-6,9-10,16H,2,7-8,11-12H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyQFPIDWGLTUZNJS-INIZCTEOSA-N
XLogP2.26
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide with MolForge

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Related Compounds

4-((5-(2-Fluoro-4-methylphenoxy)pyrazin-2-YL)methyl)-N-methylmorpholine-2-carboxamide, (2S)-
CID 146526316
N-(3-{[(2-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498596
N-(3-{[(2,4-dichlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498608
N-[(E,2S)-4-[5-[2-chloro-4-(cyclopropylmethoxy)phenoxy]pyrazin-2-yl]but-3-en-2-yl]acetamide
CID 145970611
N-(2-{[(2-chlorophenoxy)acetyl]amino}ethyl)pyrazine-2-carboxamide
CID 6498570
N-(3-{[(4-chlorophenoxy)acetyl]amino}propyl)pyrazine-2-carboxamide
CID 6498597
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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide (CID 146526248) is (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide is CCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3Cl)cn2)CCO1.
What is the InChIKey of (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide?
The InChIKey is QFPIDWGLTUZNJS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-2-20-18(24)16-12-23(7-8-25-16)11-13-9-22-17(10-21-13)26-15-6-4-3-5-14(15)19/h3-6,9-10,16H,2,7-8,11-12H2,1H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide?
(2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide is sourced from PubChem (CID 146526248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).