1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide

C18H20N6O2 — CID 55652495

IUPAC1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2cccnc2-n2cccn2)ccc1=O
InChIInChI=1S/C18H20N6O2/c1-2-3-11-23-16(25)8-7-15(22-23)18(26)20-13-14-6-4-9-19-17(14)24-12-5-10-21-24/h4-10,12H,2-3,11,13H2,1H3,(H,20,26)
InChIKeyXGYWOZXREJCXEA-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.55
Rot. Bonds7

About 1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide

1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide (PubChem CID 55652495) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide
PubChem CID55652495
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2cccnc2-n2cccn2)ccc1=O
InChIInChI=1S/C18H20N6O2/c1-2-3-11-23-16(25)8-7-15(22-23)18(26)20-13-14-6-4-9-19-17(14)24-12-5-10-21-24/h4-10,12H,2-3,11,13H2,1H3,(H,20,26)
InChIKeyXGYWOZXREJCXEA-UHFFFAOYSA-N
XLogP1.55
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-butyl-6-oxo-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide
CID 51112317
1-butyl-6-oxo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 55694654
1-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]-6-oxopyridazine-3-carboxamide
CID 51233079
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-butyl-6-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 42161969
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-butyl-6-oxopyridazine-3-carboxamide
CID 49047307
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
N-[2-(2-bromophenyl)ethyl]-1-butyl-6-oxopyridazine-3-carboxamide
CID 49003488
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
N-[(2-methoxy-3-pyridinyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38535069
2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide (CID 55652495) is 1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide is CCCCn1nc(C(=O)NCc2cccnc2-n2cccn2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide?
The InChIKey is XGYWOZXREJCXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-2-3-11-23-16(25)8-7-15(22-23)18(26)20-13-14-6-4-9-19-17(14)24-12-5-10-21-24/h4-10,12H,2-3,11,13H2,1H3,(H,20,26).
What are the key properties of 1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide?
1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55652495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).