N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide

C19H23N5O4 — CID 135606981

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)N/N=C/c2ccc(O)cc2O)nc(N2CCCCC2)n1
InChIInChI=1S/C19H23N5O4/c1-13-9-18(22-19(21-13)24-7-3-2-4-8-24)28-12-17(27)23-20-11-14-5-6-15(25)10-16(14)26/h5-6,9-11,25-26H,2-4,7-8,12H2,1H3,(H,23,27)/b20-11+
InChIKeyQOIDZKFMEBNEPO-RGVLZGJSSA-N
MW385.42 g/mol
LogP1.72
Rot. Bonds6

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide (PubChem CID 135606981) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
PubChem CID135606981
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
SMILESCc1cc(OCC(=O)N/N=C/c2ccc(O)cc2O)nc(N2CCCCC2)n1
InChIInChI=1S/C19H23N5O4/c1-13-9-18(22-19(21-13)24-7-3-2-4-8-24)28-12-17(27)23-20-11-14-5-6-15(25)10-16(14)26/h5-6,9-11,25-26H,2-4,7-8,12H2,1H3,(H,23,27)/b20-11+
InChIKeyQOIDZKFMEBNEPO-RGVLZGJSSA-N
XLogP1.72
TPSA120.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 5058017
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 4103485
N-(1H-indol-3-ylmethylideneamino)-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 3296388
2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(2-bromo-3-phenylprop-2-enylidene)amino]acetamide
CID 3341179
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 136661274
4-[(Z)-[[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 136744794
2-(4-chloro-3,5-dimethylphenoxy)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 917797
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2,4-dimethylphenoxy)acetamide
CID 136720872
2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 46391547
N-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 50834905
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135781705
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135470918

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide (CID 135606981) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide is Cc1cc(OCC(=O)N/N=C/c2ccc(O)cc2O)nc(N2CCCCC2)n1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide?
The InChIKey is QOIDZKFMEBNEPO-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-13-9-18(22-19(21-13)24-7-3-2-4-8-24)28-12-17(27)23-20-11-14-5-6-15(25)10-16(14)26/h5-6,9-11,25-26H,2-4,7-8,12H2,1H3,(H,23,27)/b20-11+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide has a molecular weight of 385.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 135606981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).