N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

C22H20N4O2S — CID 10644926

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc1
InChIInChI=1S/C22H20N4O2S/c1-14-12-15(2)24-22-18(14)19(26-10-4-5-11-26)20(29-22)21(27)25-23-13-16-6-8-17(28-3)9-7-16/h4-13H,1-3H3,(H,25,27)/b23-13+
InChIKeyWHHJJAOJSUGEDA-YDZHTSKRSA-N
MW404.50 g/mol
LogP4.48
Rot. Bonds5

About N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 10644926) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID10644926
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc1
InChIInChI=1S/C22H20N4O2S/c1-14-12-15(2)24-22-18(14)19(26-10-4-5-11-26)20(29-22)21(27)25-23-13-16-6-8-17(28-3)9-7-16/h4-13H,1-3H3,(H,25,27)/b23-13+
InChIKeyWHHJJAOJSUGEDA-YDZHTSKRSA-N
XLogP4.48
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
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

N-[(3,4-dichlorophenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 171132016
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 135655995
3-[(2-methoxybenzoyl)amino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 6324291
N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 136792840
(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 22512644
4,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 17420732
N-[[6-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl]methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 171132000
N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418
3-amino-4,6-dimethyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
CID 8984176
N-[(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 75137621
2-(2-methoxyphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 89469836
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (CID 10644926) is N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WHHJJAOJSUGEDA-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-14-12-15(2)24-22-18(14)19(26-10-4-5-11-26)20(29-22)21(27)25-23-13-16-6-8-17(28-3)9-7-16/h4-13H,1-3H3,(H,25,27)/b23-13+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 10644926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).