1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone

C25H28N4O4 — CID 168991716

IUPAC1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(OCCN3CCOCC3)cc2N)nc1Oc1ccccc1
InChIInChI=1S/C25H28N4O4/c1-18(30)21-8-10-24(28-25(21)33-19-5-3-2-4-6-19)27-23-9-7-20(17-22(23)26)32-16-13-29-11-14-31-15-12-29/h2-10,17H,11-16,26H2,1H3,(H,27,28)
InChIKeyIVYLCQTZIFEILM-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.11
Rot. Bonds9

About 1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone

1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone (PubChem CID 168991716) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone
PubChem CID168991716
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Nc2ccc(OCCN3CCOCC3)cc2N)nc1Oc1ccccc1
InChIInChI=1S/C25H28N4O4/c1-18(30)21-8-10-24(28-25(21)33-19-5-3-2-4-6-19)27-23-9-7-20(17-22(23)26)32-16-13-29-11-14-31-15-12-29/h2-10,17H,11-16,26H2,1H3,(H,27,28)
InChIKeyIVYLCQTZIFEILM-UHFFFAOYSA-N
XLogP4.11
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-N-[4-(2-morpholin-4-ylethoxy)-2-nitrophenyl]-2-N-phenylpyridine-2,6-diamine
CID 174054297
1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline
CID 68685508
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide
CID 42670493
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
dimethyl 3-[3-(2-morpholin-4-ylethoxy)anilino]benzene-1,2-dicarboxylate
CID 58307153
1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
CID 82064195
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
N-(2-amino-4-methoxyphenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62988964

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone (CID 168991716) is 1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone is CC(=O)c1ccc(Nc2ccc(OCCN3CCOCC3)cc2N)nc1Oc1ccccc1.
What is the InChIKey of 1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone?
The InChIKey is IVYLCQTZIFEILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-18(30)21-8-10-24(28-25(21)33-19-5-3-2-4-6-19)27-23-9-7-20(17-22(23)26)32-16-13-29-11-14-31-15-12-29/h2-10,17H,11-16,26H2,1H3,(H,27,28).
What are the key properties of 1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone?
1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone has a molecular weight of 448.52 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-amino-4-(2-morpholin-4-ylethoxy)anilino]-2-phenoxy-3-pyridinyl]ethanone is sourced from PubChem (CID 168991716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).