2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide

C20H19N5O3 — CID 135685347

IUPAC2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
SMILESCOCc1cc(C)nc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c1C#N
InChIInChI=1S/C20H19N5O3/c1-13-7-14(11-27-2)17(8-21)20(24-13)28-12-19(26)25-23-10-15-9-22-18-6-4-3-5-16(15)18/h3-7,9-10,22H,11-12H2,1-2H3,(H,25,26)/b23-10+
InChIKeyXBTJFZXYJWBQBE-AUEPDCJTSA-N
MW377.40 g/mol
LogP2.42
Rot. Bonds7

About 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide

2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide (PubChem CID 135685347) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
PubChem CID135685347
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
SMILESCOCc1cc(C)nc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c1C#N
InChIInChI=1S/C20H19N5O3/c1-13-7-14(11-27-2)17(8-21)20(24-13)28-12-19(26)25-23-10-15-9-22-18-6-4-3-5-16(15)18/h3-7,9-10,22H,11-12H2,1-2H3,(H,25,26)/b23-10+
InChIKeyXBTJFZXYJWBQBE-AUEPDCJTSA-N
XLogP2.42
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(4-methylphenyl)methylideneamino]acetamide
CID 1040222
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 137171995
N-[(E)-(2-butoxynaphthalen-1-yl)methylideneamino]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
CID 126012228
N-[(E)-[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
CID 126009612
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]acetamide
CID 5440465
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 4153277
N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide
CID 136700927
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
CID 5437217
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
CID 136752796
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]acetamide
CID 135549711
N-(1H-indol-3-ylmethylideneamino)-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 3296388
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 92847009

Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide (CID 135685347) is 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide is COCc1cc(C)nc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)c1C#N.
What is the InChIKey of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
The InChIKey is XBTJFZXYJWBQBE-AUEPDCJTSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-13-7-14(11-27-2)17(8-21)20(24-13)28-12-19(26)25-23-10-15-9-22-18-6-4-3-5-16(15)18/h3-7,9-10,22H,11-12H2,1-2H3,(H,25,26)/b23-10+.
What are the key properties of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide?
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 135685347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).