2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide

C18H30N6O3 — CID 111658948

IUPAC2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide
SMILESCCN/C(=N\CC(=O)Nc1cccnc1)NCC(C)(O)CN1CCOCC1
InChIInChI=1S/C18H30N6O3/c1-3-20-17(21-12-16(25)23-15-5-4-6-19-11-15)22-13-18(2,26)14-24-7-9-27-10-8-24/h4-6,11,26H,3,7-10,12-14H2,1-2H3,(H,23,25)(H2,20,21,22)
InChIKeyYGWONGQKNQAMEI-UHFFFAOYSA-N
MW378.48 g/mol
LogP-0.34
Rot. Bonds8

About 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide

2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide (PubChem CID 111658948) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide
PubChem CID111658948
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC Name2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide
SMILESCCN/C(=N\CC(=O)Nc1cccnc1)NCC(C)(O)CN1CCOCC1
InChIInChI=1S/C18H30N6O3/c1-3-20-17(21-12-16(25)23-15-5-4-6-19-11-15)22-13-18(2,26)14-24-7-9-27-10-8-24/h4-6,11,26H,3,7-10,12-14H2,1-2H3,(H,23,25)(H2,20,21,22)
InChIKeyYGWONGQKNQAMEI-UHFFFAOYSA-N
XLogP-0.34
TPSA111.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111658067
2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111658287
2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111658919
2-[[[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111662138
N-[3-[[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111657462
methyl N-[4-[[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]phenyl]carbamate;hydroiodide
CID 111657355
2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 110981371
2-[[ethylamino-(propan-2-ylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111127008
2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353
1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2-(isoquinolin-1-ylmethyl)guanidine;hydroiodide
CID 111657741
2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111303700
2-[(2-chlorophenyl)methyl]-1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)guanidine
CID 111658458

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide (CID 111658948) is 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide is CCN/C(=N\CC(=O)Nc1cccnc1)NCC(C)(O)CN1CCOCC1.
What is the InChIKey of 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide?
The InChIKey is YGWONGQKNQAMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3/c1-3-20-17(21-12-16(25)23-15-5-4-6-19-11-15)22-13-18(2,26)14-24-7-9-27-10-8-24/h4-6,11,26H,3,7-10,12-14H2,1-2H3,(H,23,25)(H2,20,21,22).
What are the key properties of 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide?
2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide has a molecular weight of 378.48 g/mol, XLogP of -0.34, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)amino]methylidene]amino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 111658948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).