5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide

C14H12N4OS — CID 123819219

IUPAC5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccncc2)sc2nnccc12
InChIInChI=1S/C14H12N4OS/c1-9-11-4-7-17-18-14(11)20-12(9)13(19)16-8-10-2-5-15-6-3-10/h2-7H,8H2,1H3,(H,16,19)
InChIKeySOAQDXQXOABMOF-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.32
Rot. Bonds3

About 5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide

5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 123819219) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID123819219
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccncc2)sc2nnccc12
InChIInChI=1S/C14H12N4OS/c1-9-11-4-7-17-18-14(11)20-12(9)13(19)16-8-10-2-5-15-6-3-10/h2-7H,8H2,1H3,(H,16,19)
InChIKeySOAQDXQXOABMOF-UHFFFAOYSA-N
XLogP2.32
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[(4-ethylphenyl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 122691568
5-amino-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 80516957
3-amino-7-methyl-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107112811
4-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110386337
2-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110694330
5-amino-N-(2-amino-2-oxoethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80518001
4-[(4,4-difluorocyclohexyl)-methylamino]-5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 154963463
2-(4-fluorophenyl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 17399055
ethane;pyridin-4-ylmethylurea
CID 144877282
5-amino-N-(2-propan-2-yloxyethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 104766810
4-methyl-N-(pyridin-4-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86911102
N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384611

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 123819219) is 5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide is Cc1c(C(=O)NCc2ccncc2)sc2nnccc12.
What is the InChIKey of 5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is SOAQDXQXOABMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-9-11-4-7-17-18-14(11)20-12(9)13(19)16-8-10-2-5-15-6-3-10/h2-7H,8H2,1H3,(H,16,19).
What are the key properties of 5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyridin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 123819219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).