2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide

C19H20N4O3 — CID 6877345

IUPAC2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
SMILESCOCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(C)cc2)c1C#N
InChIInChI=1S/C19H20N4O3/c1-13-4-6-15(7-5-13)10-21-23-18(24)12-26-19-17(9-20)16(11-25-3)8-14(2)22-19/h4-8,10H,11-12H2,1-3H3,(H,23,24)/b21-10+
InChIKeyHMLKQLMINNGMDY-UFFVCSGVSA-N
MW352.39 g/mol
LogP2.25
Rot. Bonds7

About 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide

2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide (PubChem CID 6877345) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
PubChem CID6877345
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
SMILESCOCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(C)cc2)c1C#N
InChIInChI=1S/C19H20N4O3/c1-13-4-6-15(7-5-13)10-21-23-18(24)12-26-19-17(9-20)16(11-25-3)8-14(2)22-19/h4-8,10H,11-12H2,1-3H3,(H,23,24)/b21-10+
InChIKeyHMLKQLMINNGMDY-UFFVCSGVSA-N
XLogP2.25
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide (CID 6877345) is 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide is COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(C)cc2)c1C#N.
What is the InChIKey of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide?
The InChIKey is HMLKQLMINNGMDY-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-4-6-15(7-5-13)10-21-23-18(24)12-26-19-17(9-20)16(11-25-3)8-14(2)22-19/h4-8,10H,11-12H2,1-3H3,(H,23,24)/b21-10+.
What are the key properties of 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide?
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]oxy]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 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)-(4-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6877345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).