1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide

C15H19N3O2S — CID 32958719

IUPAC1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2sccc2C)ccc1=O
InChIInChI=1S/C15H19N3O2S/c1-3-4-8-18-14(19)6-5-12(17-18)15(20)16-10-13-11(2)7-9-21-13/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,20)
InChIKeyOGQWKINKHOBCJL-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.34
Rot. Bonds6

About 1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 32958719) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID32958719
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2sccc2C)ccc1=O
InChIInChI=1S/C15H19N3O2S/c1-3-4-8-18-14(19)6-5-12(17-18)15(20)16-10-13-11(2)7-9-21-13/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,20)
InChIKeyOGQWKINKHOBCJL-UHFFFAOYSA-N
XLogP2.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 42161969
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 51233079
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
N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
1-butyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 103767607
1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 34242671
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide (CID 32958719) is 1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCc2sccc2C)ccc1=O.
What is the InChIKey of 1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is OGQWKINKHOBCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-4-8-18-14(19)6-5-12(17-18)15(20)16-10-13-11(2)7-9-21-13/h5-7,9H,3-4,8,10H2,1-2H3,(H,16,20).
What are the key properties of 1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 32958719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).