(2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide

C13H14ClN5O3 — CID 90213281

IUPAC(2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide
SMILESNC(=O)N1CCO[C@H](COc2nc(Cl)cc3nccnc23)C1
InChIInChI=1S/C13H14ClN5O3/c14-10-5-9-11(17-2-1-16-9)12(18-10)22-7-8-6-19(13(15)20)3-4-21-8/h1-2,5,8H,3-4,6-7H2,(H2,15,20)/t8-/m0/s1
InChIKeyKCFMTWTUTURLQW-QMMMGPOBSA-N
MW323.74 g/mol
LogP0.84
Rot. Bonds3

About (2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide

(2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide (PubChem CID 90213281) has the molecular formula C13H14ClN5O3 and a molecular weight of 323.74 g/mol. Its IUPAC name is (2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide
PubChem CID90213281
Molecular FormulaC13H14ClN5O3
Molecular Weight323.74 g/mol
Exact Mass323.08
IUPAC Name(2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide
SMILESNC(=O)N1CCO[C@H](COc2nc(Cl)cc3nccnc23)C1
InChIInChI=1S/C13H14ClN5O3/c14-10-5-9-11(17-2-1-16-9)12(18-10)22-7-8-6-19(13(15)20)3-4-21-8/h1-2,5,8H,3-4,6-7H2,(H2,15,20)/t8-/m0/s1
InChIKeyKCFMTWTUTURLQW-QMMMGPOBSA-N
XLogP0.84
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxylate
CID 86706987
(2S)-2-[[7-(4-tert-butylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
CID 118633318
(2S)-2-[[7-[3-chloro-4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide;sulfane
CID 158925871
(2S)-2-[[7-[4-[(2R)-2-hydroxypropyl]phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
CID 134348294
(2S)-2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide;sulfane
CID 161481119
(2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
CID 90213304
2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine
CID 90202819
2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride
CID 118468513
1-[(2S)-2-[[7-[4-(dimethylamino)-3,5-dimethylphenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 118633257
1-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 75202898
(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
CID 118474575
(6S)-6-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholin-3-one
CID 90202581

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide (CID 90213281) is (2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide is NC(=O)N1CCO[C@H](COc2nc(Cl)cc3nccnc23)C1.
What is the InChIKey of (2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide?
The InChIKey is KCFMTWTUTURLQW-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14ClN5O3/c14-10-5-9-11(17-2-1-16-9)12(18-10)22-7-8-6-19(13(15)20)3-4-21-8/h1-2,5,8H,3-4,6-7H2,(H2,15,20)/t8-/m0/s1.
What are the key properties of (2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide?
(2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide has a molecular weight of 323.74 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine-4-carboxamide is sourced from PubChem (CID 90213281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).