1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one

C24H28N6O3 — CID 172939169

IUPAC1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(COCCn3ccccc3=O)n2)c1
InChIInChI=1S/C24H28N6O3/c1-19-5-4-6-20(15-19)17-25-28-21-16-23(29-9-12-32-13-10-29)27-22(26-21)18-33-14-11-30-8-3-2-7-24(30)31/h2-8,15-17H,9-14,18H2,1H3,(H,26,27,28)/b25-17+
InChIKeyZZIADLABJRZVMY-KOEQRZSOSA-N
MW448.53 g/mol
LogP2.45
Rot. Bonds9

About 1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one

1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one (PubChem CID 172939169) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one
PubChem CID172939169
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(COCCn3ccccc3=O)n2)c1
InChIInChI=1S/C24H28N6O3/c1-19-5-4-6-20(15-19)17-25-28-21-16-23(29-9-12-32-13-10-29)27-22(26-21)18-33-14-11-30-8-3-2-7-24(30)31/h2-8,15-17H,9-14,18H2,1H3,(H,26,27,28)/b25-17+
InChIKeyZZIADLABJRZVMY-KOEQRZSOSA-N
XLogP2.45
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
N-[(E)-(3-chlorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;1-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]pyridin-2-one
CID 172951665
2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
CID 11453023
3-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]-1-pyridin-2-ylpropan-1-ol
CID 11293401
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]ethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 11713445
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532
[2-methyl-1-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]propan-2-yl] N-[4-(trifluoromethyl)phenyl]carbamate
CID 66841104
[2-methyl-1-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]propan-2-yl] N-[4-(trifluoromethyl)phenyl]carbamate
CID 11685457
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine
CID 10194138
ethyl 3-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-piperidin-1-ylpyrimidin-2-yl]propanoate
CID 143341240
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one (CID 172939169) is 1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one is Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(COCCn3ccccc3=O)n2)c1.
What is the InChIKey of 1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one?
The InChIKey is ZZIADLABJRZVMY-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-19-5-4-6-20(15-19)17-25-28-21-16-23(29-9-12-32-13-10-29)27-22(26-21)18-33-14-11-30-8-3-2-7-24(30)31/h2-8,15-17H,9-14,18H2,1H3,(H,26,27,28)/b25-17+.
What are the key properties of 1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one?
1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one has a molecular weight of 448.53 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methoxy]ethyl]pyridin-2-one is sourced from PubChem (CID 172939169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).