2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide

C18H18N4O2 — CID 90004082

IUPAC2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
SMILESCc1ccnc(C)c1OCC(=O)N/N=C/c1cccc2[nH]ccc12
InChIInChI=1S/C18H18N4O2/c1-12-6-8-19-13(2)18(12)24-11-17(23)22-21-10-14-4-3-5-16-15(14)7-9-20-16/h3-10,20H,11H2,1-2H3,(H,22,23)/b21-10+
InChIKeyOOCCZJVDXZBPKI-UFFVCSGVSA-N
MW322.37 g/mol
LogP2.71
Rot. Bonds5

About 2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide

2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide (PubChem CID 90004082) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
PubChem CID90004082
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
SMILESCc1ccnc(C)c1OCC(=O)N/N=C/c1cccc2[nH]ccc12
InChIInChI=1S/C18H18N4O2/c1-12-6-8-19-13(2)18(12)24-11-17(23)22-21-10-14-4-3-5-16-15(14)7-9-20-16/h3-10,20H,11H2,1-2H3,(H,22,23)/b21-10+
InChIKeyOOCCZJVDXZBPKI-UFFVCSGVSA-N
XLogP2.71
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-di(propan-2-yl)phenoxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
CID 90003960
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
CID 73426665
2-(4-bromo-2-cyanophenoxy)-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide
CID 90003929
2-(4-amino-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 137146824
2-(4-chloro-2,6-dimethylphenoxy)-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 154063383
2-(2,6-dimethylphenoxy)-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 136661504
2-(2,6-dimethylphenoxy)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]acetamide
CID 135588975
2-(2,6-dimethylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5420735
2-(2,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3296653
2-(2,6-dimethyl-4-pyridin-3-ylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 136501552
2-(2,6-dimethylphenoxy)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 54788834
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 6129551

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide?
The IUPAC name of 2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide (CID 90004082) is 2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide is Cc1ccnc(C)c1OCC(=O)N/N=C/c1cccc2[nH]ccc12.
What is the InChIKey of 2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide?
The InChIKey is OOCCZJVDXZBPKI-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-6-8-19-13(2)18(12)24-11-17(23)22-21-10-14-4-3-5-16-15(14)7-9-20-16/h3-10,20H,11H2,1-2H3,(H,22,23)/b21-10+.
What are the key properties of 2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide?
2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethyl-3-pyridinyl)oxy]-N-[(E)-1H-indol-4-ylmethylideneamino]acetamide is sourced from PubChem (CID 90004082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).