3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C26H24N4O4S — CID 6324291

IUPAC3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2sc3nc(C)cc(C)c3c2NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C26H24N4O4S/c1-15-13-16(2)28-26-21(15)22(29-24(31)19-7-5-6-8-20(19)34-4)23(35-26)25(32)30-27-14-17-9-11-18(33-3)12-10-17/h5-14H,1-4H3,(H,29,31)(H,30,32)/b27-14-
InChIKeyOOLJJNLLVZQLNX-VYYCAZPPSA-N
MW488.57 g/mol
LogP4.95
Rot. Bonds7

About 3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 6324291) has the molecular formula C26H24N4O4S and a molecular weight of 488.57 g/mol. Its IUPAC name is 3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID6324291
Molecular FormulaC26H24N4O4S
Molecular Weight488.57 g/mol
Exact Mass488.15
IUPAC Name3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2sc3nc(C)cc(C)c3c2NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C26H24N4O4S/c1-15-13-16(2)28-26-21(15)22(29-24(31)19-7-5-6-8-20(19)34-4)23(35-26)25(32)30-27-14-17-9-11-18(33-3)12-10-17/h5-14H,1-4H3,(H,29,31)(H,30,32)/b27-14-
InChIKeyOOLJJNLLVZQLNX-VYYCAZPPSA-N
XLogP4.95
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.95
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

N-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 6324290
N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 10644926
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
2-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 89469836
2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110505830
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
CID 8984176
methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate
CID 3669406
N-[(3,4-dichlorophenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 171132016
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
N-[(4-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 583796
2-(2-fluorophenyl)-N-[(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 123654254

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 6324291) is 3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(/C=N\NC(=O)c2sc3nc(C)cc(C)c3c2NC(=O)c2ccccc2OC)cc1.
What is the InChIKey of 3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is OOLJJNLLVZQLNX-VYYCAZPPSA-N. The full InChI is InChI=1S/C26H24N4O4S/c1-15-13-16(2)28-26-21(15)22(29-24(31)19-7-5-6-8-20(19)34-4)23(35-26)25(32)30-27-14-17-9-11-18(33-3)12-10-17/h5-14H,1-4H3,(H,29,31)(H,30,32)/b27-14-.
What are the key properties of 3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 488.57 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 6324291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).