3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide

C13H11N5OS — CID 106898056

IUPAC3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCc2cccnn2)sc2cnccc12
InChIInChI=1S/C13H11N5OS/c14-11-9-3-5-15-7-10(9)20-12(11)13(19)16-6-8-2-1-4-17-18-8/h1-5,7H,6,14H2,(H,16,19)
InChIKeyFYVAPQAWVDFBNK-UHFFFAOYSA-N
MW285.33 g/mol
LogP1.60
Rot. Bonds3

About 3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 106898056) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID106898056
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCc2cccnn2)sc2cnccc12
InChIInChI=1S/C13H11N5OS/c14-11-9-3-5-15-7-10(9)20-12(11)13(19)16-6-8-2-1-4-17-18-8/h1-5,7H,6,14H2,(H,16,19)
InChIKeyFYVAPQAWVDFBNK-UHFFFAOYSA-N
XLogP1.60
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 106898044
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114619385
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
3-amino-N-(2,2-difluoro-3-hydroxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106174325
3-amino-N-(2-thiophen-2-ylethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289113
3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
CID 113466186
3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289295
3-amino-N',N'-dimethylthieno[2,3-c]pyridine-2-carbohydrazide
CID 83024926
3-amino-N-tert-butylthieno[2,3-c]pyridine-2-carboxamide
CID 113269822
3-amino-N-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289352
3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide
CID 106311389

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide (CID 106898056) is 3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide is Nc1c(C(=O)NCc2cccnn2)sc2cnccc12.
What is the InChIKey of 3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is FYVAPQAWVDFBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c14-11-9-3-5-15-7-10(9)20-12(11)13(19)16-6-8-2-1-4-17-18-8/h1-5,7H,6,14H2,(H,16,19).
What are the key properties of 3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 106898056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).