3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide

C25H25N5O4 — CID 51056371

IUPAC3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc(C(=O)N/N=C\c3ccc(OC)cc3)c(C)nc2C)cc1
InChIInChI=1S/C25H25N5O4/c1-16-22(24(31)29-26-14-18-5-9-20(33-3)10-6-18)13-23(17(2)28-16)25(32)30-27-15-19-7-11-21(34-4)12-8-19/h5-15H,1-4H3,(H,29,31)(H,30,32)/b26-14-,27-15-
InChIKeyUSGVSEYXZRFFRP-JUZYOEKXSA-N
MW459.51 g/mol
LogP3.24
Rot. Bonds8

About 3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide

3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide (PubChem CID 51056371) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
PubChem CID51056371
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc(C(=O)N/N=C\c3ccc(OC)cc3)c(C)nc2C)cc1
InChIInChI=1S/C25H25N5O4/c1-16-22(24(31)29-26-14-18-5-9-20(33-3)10-6-18)13-23(17(2)28-16)25(32)30-27-15-19-7-11-21(34-4)12-8-19/h5-15H,1-4H3,(H,29,31)(H,30,32)/b26-14-,27-15-
InChIKeyUSGVSEYXZRFFRP-JUZYOEKXSA-N
XLogP3.24
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 4860648
2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide
CID 5111295
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418
2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 5379610
3,5-dibromo-2-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 5331706
N-[(4-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 583796
5-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 57401603
2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 24939056
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide (CID 51056371) is 3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide is COc1ccc(/C=N\NC(=O)c2cc(C(=O)N/N=C\c3ccc(OC)cc3)c(C)nc2C)cc1.
What is the InChIKey of 3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
The InChIKey is USGVSEYXZRFFRP-JUZYOEKXSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-16-22(24(31)29-26-14-18-5-9-20(33-3)10-6-18)13-23(17(2)28-16)25(32)30-27-15-19-7-11-21(34-4)12-8-19/h5-15H,1-4H3,(H,29,31)(H,30,32)/b26-14-,27-15-.
What are the key properties of 3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide has a molecular weight of 459.51 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 51056371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).