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

C17H19ClN4O3 — CID 146526470

IUPAC(2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3Cl)cn2)CCO1
InChIInChI=1S/C17H19ClN4O3/c1-19-17(23)15-11-22(6-7-24-15)10-12-8-21-16(9-20-12)25-14-5-3-2-4-13(14)18/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyWUBNVNRREOUUKG-HNNXBMFYSA-N
MW362.82 g/mol
LogP1.87
Rot. Bonds5

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

(2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide (PubChem CID 146526470) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
PubChem CID146526470
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name(2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3Cl)cn2)CCO1
InChIInChI=1S/C17H19ClN4O3/c1-19-17(23)15-11-22(6-7-24-15)10-12-8-21-16(9-20-12)25-14-5-3-2-4-13(14)18/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyWUBNVNRREOUUKG-HNNXBMFYSA-N
XLogP1.87
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-[[6-(2,6-difluorophenoxy)-3-pyridinyl]methyl]-N-methylmorpholine-2-carboxamide
CID 146522960
N-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 165435131
4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 86786686
N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
CID 166602296
4-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylmorpholine-2-carboxamide
CID 166601947
methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 113346045
(2S)-4-[[4-(2,4-difluorophenoxy)phenyl]methyl]-N-methylmorpholine-2-carboxamide
CID 157475678
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 136527577
(3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide
CID 163854225
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide (CID 146526470) is (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide is CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3Cl)cn2)CCO1.
What is the InChIKey of (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is WUBNVNRREOUUKG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-19-17(23)15-11-22(6-7-24-15)10-12-8-21-16(9-20-12)25-14-5-3-2-4-13(14)18/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,23)/t15-/m0/s1.
What are the key properties of (2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
(2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 1.87, 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-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 146526470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).