1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide

C14H17N3O2S — CID 42161969

IUPAC1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2cccs2)ccc1=O
InChIInChI=1S/C14H17N3O2S/c1-2-3-8-17-13(18)7-6-12(16-17)14(19)15-10-11-5-4-9-20-11/h4-7,9H,2-3,8,10H2,1H3,(H,15,19)
InChIKeySEQFLGNDMOQOQY-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.03
Rot. Bonds6

About 1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide

1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 42161969) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID42161969
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2cccs2)ccc1=O
InChIInChI=1S/C14H17N3O2S/c1-2-3-8-17-13(18)7-6-12(16-17)14(19)15-10-11-5-4-9-20-11/h4-7,9H,2-3,8,10H2,1H3,(H,15,19)
InChIKeySEQFLGNDMOQOQY-UHFFFAOYSA-N
XLogP2.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 32958719
6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 32983278
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 51233079
1-butyl-6-oxo-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyridazine-3-carboxamide
CID 55416398
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide
CID 111441768
1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 55694654
1-butyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 103767607

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide (CID 42161969) is 1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide is CCCCn1nc(C(=O)NCc2cccs2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is SEQFLGNDMOQOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-3-8-17-13(18)7-6-12(16-17)14(19)15-10-11-5-4-9-20-11/h4-7,9H,2-3,8,10H2,1H3,(H,15,19).
What are the key properties of 1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 42161969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).