N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

C24H26N4O3 — CID 8883664

IUPACN-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)N/N=C\C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1
InChIInChI=1S/C24H26N4O3/c29-22(18-28-11-5-4-8-23(28)30)26-25-17-21-10-9-20(16-19-6-2-1-3-7-19)24(21)27-12-14-31-15-13-27/h1-8,11,16-17H,9-10,12-15,18H2,(H,26,29)/b20-16?,25-17-
InChIKeyXQOVFDXNHWCZPB-MZSFRFJDSA-N
MW418.50 g/mol
LogP2.41
Rot. Bonds6

About N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 8883664) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID8883664
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)N/N=C\C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1
InChIInChI=1S/C24H26N4O3/c29-22(18-28-11-5-4-8-23(28)30)26-25-17-21-10-9-20(16-19-6-2-1-3-7-19)24(21)27-12-14-31-15-13-27/h1-8,11,16-17H,9-10,12-15,18H2,(H,26,29)/b20-16?,25-17-
InChIKeyXQOVFDXNHWCZPB-MZSFRFJDSA-N
XLogP2.41
TPSA75.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_enamin(30)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-bromobenzamide
CID 6899054
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine
CID 4829730
1-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-3-phenylthiourea
CID 7041326
N-[(Z)-[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]benzenesulfonamide
CID 6158019
3-[(2Z)-2-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135820831
1-[[(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-3-ethylurea
CID 129432047
N-[[(3E)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 131674302
2-(2-oxo-1-pyridinyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 8883215
2-methyl-N-[(E)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]furan-3-carboxamide
CID 6901099
2-(2-oxo-1-pyridinyl)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 8883298
N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine
CID 84583005
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 135702532

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (CID 8883664) is N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is O=C(Cn1ccccc1=O)N/N=C\C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1.
What is the InChIKey of N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is XQOVFDXNHWCZPB-MZSFRFJDSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-22(18-28-11-5-4-8-23(28)30)26-25-17-21-10-9-20(16-19-6-2-1-3-7-19)24(21)27-12-14-31-15-13-27/h1-8,11,16-17H,9-10,12-15,18H2,(H,26,29)/b20-16?,25-17-.
What are the key properties of N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 8883664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).