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

C16H14N4O2S — CID 41089982

IUPAC3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2sc3ncccc3c2N)cc1
InChIInChI=1S/C16H14N4O2S/c1-22-11-6-4-10(5-7-11)9-19-20-15(21)14-13(17)12-3-2-8-18-16(12)23-14/h2-9H,17H2,1H3,(H,20,21)/b19-9-
InChIKeyJMESFYNKXZJGQL-OCKHKDLRSA-N
MW326.38 g/mol
LogP2.65
Rot. Bonds4

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

3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 41089982) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID41089982
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2sc3ncccc3c2N)cc1
InChIInChI=1S/C16H14N4O2S/c1-22-11-6-4-10(5-7-11)9-19-20-15(21)14-13(17)12-3-2-8-18-16(12)23-14/h2-9H,17H2,1H3,(H,20,21)/b19-9-
InChIKeyJMESFYNKXZJGQL-OCKHKDLRSA-N
XLogP2.65
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.65
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-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide
CID 54585208
3-chloro-N-[(4-methoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 968649
N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418
N-[(4-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 583796
N-[(4-methoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4848627
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
2-acetamido-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 24939056
ethyl 5-amino-4-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]-3-methylthiophene-2-carboxylate
CID 44579262
N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110527260
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 89469976
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 10644926

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide (CID 41089982) is 3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide is COc1ccc(/C=N\NC(=O)c2sc3ncccc3c2N)cc1.
What is the InChIKey of 3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JMESFYNKXZJGQL-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-11-6-4-10(5-7-11)9-19-20-15(21)14-13(17)12-3-2-8-18-16(12)23-14/h2-9H,17H2,1H3,(H,20,21)/b19-9-.
What are the key properties of 3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(Z)-(4-methoxyphenyl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 41089982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).