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

C25H28N4O3S — CID 6324290

IUPACN-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccccc1C(=O)Nc1c(C(=O)N/N=C\C2CCCCC2)sc2nc(C)cc(C)c12
InChIInChI=1S/C25H28N4O3S/c1-15-13-16(2)27-25-20(15)21(28-23(30)18-11-7-8-12-19(18)32-3)22(33-25)24(31)29-26-14-17-9-5-4-6-10-17/h7-8,11-14,17H,4-6,9-10H2,1-3H3,(H,28,30)(H,29,31)/b26-14-
InChIKeyUOYLVFDTVCYGEU-WGARJPEWSA-N
MW464.59 g/mol
LogP5.47
Rot. Bonds6

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

N-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 6324290) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID6324290
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccccc1C(=O)Nc1c(C(=O)N/N=C\C2CCCCC2)sc2nc(C)cc(C)c12
InChIInChI=1S/C25H28N4O3S/c1-15-13-16(2)27-25-20(15)21(28-23(30)18-11-7-8-12-19(18)32-3)22(33-25)24(31)29-26-14-17-9-5-4-6-10-17/h7-8,11-14,17H,4-6,9-10H2,1-3H3,(H,28,30)(H,29,31)/b26-14-
InChIKeyUOYLVFDTVCYGEU-WGARJPEWSA-N
XLogP5.47
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 55.47
H-Bond Donors ≤ 52
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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Related Compounds

3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 6324291
N-(2-benzoyl-4,6-diphenylthieno[2,3-b]pyridin-3-yl)-2-methoxybenzamide
CID 3436300
N-[2-[hydroxy(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]-2-methoxybenzamide
CID 5304203
3-chloro-N-(cyclohexylmethylideneamino)-6-methyl-1-benzothiophene-2-carboxamide
CID 3380759
N-[(4-chlorophenyl)methyl]-3-[(2-methoxybenzoyl)amino]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 90485558
N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide
CID 25333299
2-methoxy-N-(6-methyl-2-piperidin-2-ylpyrimidin-4-yl)benzamide
CID 175660200
4,6-dimethyl-3-[(4-methylbenzoyl)amino]-N-prop-2-enylthieno[2,3-b]pyridine-2-carboxamide
CID 4919131
3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531
N-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 155951835
ethyl 3-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 121043248
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880083

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 6324290) is N-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is COc1ccccc1C(=O)Nc1c(C(=O)N/N=C\C2CCCCC2)sc2nc(C)cc(C)c12.
What is the InChIKey of N-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UOYLVFDTVCYGEU-WGARJPEWSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-15-13-16(2)27-25-20(15)21(28-23(30)18-11-7-8-12-19(18)32-3)22(33-25)24(31)29-26-14-17-9-5-4-6-10-17/h7-8,11-14,17H,4-6,9-10H2,1-3H3,(H,28,30)(H,29,31)/b26-14-.
What are the key properties of N-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
N-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-cyclohexylmethylideneamino]-3-[(2-methoxybenzoyl)amino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 6324290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).