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

C25H25N5O4 — CID 4860648

IUPAC3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
SMILESCOc1cccc(C=NNC(=O)c2cc(C(=O)NN=Cc3cccc(OC)c3)c(C)nc2C)c1
InChIInChI=1S/C25H25N5O4/c1-16-22(24(31)29-26-14-18-7-5-9-20(11-18)33-3)13-23(17(2)28-16)25(32)30-27-15-19-8-6-10-21(12-19)34-4/h5-15H,1-4H3,(H,29,31)(H,30,32)
InChIKeyYBJDEHAFJOYISP-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.24
Rot. Bonds8

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

3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide (PubChem CID 4860648) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
PubChem CID4860648
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
SMILESCOc1cccc(C=NNC(=O)c2cc(C(=O)NN=Cc3cccc(OC)c3)c(C)nc2C)c1
InChIInChI=1S/C25H25N5O4/c1-16-22(24(31)29-26-14-18-7-5-9-20(11-18)33-3)13-23(17(2)28-16)25(32)30-27-15-19-8-6-10-21(12-19)34-4/h5-15H,1-4H3,(H,29,31)(H,30,32)
InChIKeyYBJDEHAFJOYISP-UHFFFAOYSA-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[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
2-amino-N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 5398570
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
5-bromo-2-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 5335668
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
N-[2-[[(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 1034803
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
N-[(3-methoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 2813616
(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5413551

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide (CID 4860648) is 3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide is COc1cccc(C=NNC(=O)c2cc(C(=O)NN=Cc3cccc(OC)c3)c(C)nc2C)c1.
What is the InChIKey of 3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
The InChIKey is YBJDEHAFJOYISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-16-22(24(31)29-26-14-18-7-5-9-20(11-18)33-3)13-23(17(2)28-16)25(32)30-27-15-19-8-6-10-21(12-19)34-4/h5-15H,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 3-N,5-N-bis[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
3-N,5-N-bis[(3-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[(3-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 4860648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).