(2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide

C22H24N6O6 — CID 58181506

IUPAC(2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cccc(N4CCOCC4=O)c3)C2=O)cn1
InChIInChI=1S/C22H24N6O6/c23-20(24)16-5-4-13(11-25-16)26-21(31)18(30)19-22(32)28(7-9-34-19)15-3-1-2-14(10-15)27-6-8-33-12-17(27)29/h1-5,10-11,18-19,30H,6-9,12H2,(H3,23,24)(H,26,31)/t18-,19-/m1/s1
InChIKeyZAMQMNLLTMAWBQ-RTBURBONSA-N
MW468.47 g/mol
LogP-0.54
Rot. Bonds6

About (2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide

(2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide (PubChem CID 58181506) has the molecular formula C22H24N6O6 and a molecular weight of 468.47 g/mol. Its IUPAC name is (2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
PubChem CID58181506
Molecular FormulaC22H24N6O6
Molecular Weight468.47 g/mol
Exact Mass468.18
IUPAC Name(2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cccc(N4CCOCC4=O)c3)C2=O)cn1
InChIInChI=1S/C22H24N6O6/c23-20(24)16-5-4-13(11-25-16)26-21(31)18(30)19-22(32)28(7-9-34-19)15-3-1-2-14(10-15)27-6-8-33-12-17(27)29/h1-5,10-11,18-19,30H,6-9,12H2,(H3,23,24)(H,26,31)/t18-,19-/m1/s1
InChIKeyZAMQMNLLTMAWBQ-RTBURBONSA-N
XLogP-0.54
TPSA171.17 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide;hydrochloride
CID 67223464
N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
CID 67221899
(2R)-N-(1-amino-7-fluoro-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide
CID 58290593
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)morpholin-2-yl]acetamide;hydrochloride
CID 67222881
[2-(4-carbamimidoyl-3-chloroanilino)-2-oxo-1-[3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate
CID 76717235
(2R)-N-(4-carbamimidoyl-3-fluorophenyl)-2-hydroxy-2-[(2R)-3-oxo-4-phenylmorpholin-2-yl]acetamide
CID 58181622
[2-fluoro-4-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetyl]amino]phenyl]methylcarbamic acid
CID 67033508
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetamide;hydrochloride
CID 67222724
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[3-(methanesulfonamido)phenyl]-3-oxomorpholin-2-yl]acetamide;hydrochloride
CID 67222118
tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate
CID 67222708
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxopyrrolidin-1-yl)phenyl]morpholin-2-yl]acetamide;hydrochloride
CID 67223354
N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(1H-indol-6-yl)-3-oxomorpholin-2-yl]acetamide
CID 140562851

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide?
The IUPAC name of (2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide (CID 58181506) is (2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide.
What is the SMILES notation for (2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide?
The canonical SMILES for (2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide is [H]/N=C(\N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cccc(N4CCOCC4=O)c3)C2=O)cn1.
What is the InChIKey of (2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide?
The InChIKey is ZAMQMNLLTMAWBQ-RTBURBONSA-N. The full InChI is InChI=1S/C22H24N6O6/c23-20(24)16-5-4-13(11-25-16)26-21(31)18(30)19-22(32)28(7-9-34-19)15-3-1-2-14(10-15)27-6-8-33-12-17(27)29/h1-5,10-11,18-19,30H,6-9,12H2,(H3,23,24)(H,26,31)/t18-,19-/m1/s1.
What are the key properties of (2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide?
(2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide has a molecular weight of 468.47 g/mol, XLogP of -0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-carbamimidoyl-3-pyridinyl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 58181506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).