1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide

C18H19N5O2 — CID 47025477

IUPAC1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccccc2-n2ccnc2)ccc1=O
InChIInChI=1S/C18H19N5O2/c1-2-3-11-23-17(24)9-8-15(21-23)18(25)20-14-6-4-5-7-16(14)22-12-10-19-13-22/h4-10,12-13H,2-3,11H2,1H3,(H,20,25)
InChIKeyALUOEKHTKYFKPK-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.48
Rot. Bonds6

About 1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 47025477) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID47025477
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)Nc2ccccc2-n2ccnc2)ccc1=O
InChIInChI=1S/C18H19N5O2/c1-2-3-11-23-17(24)9-8-15(21-23)18(25)20-14-6-4-5-7-16(14)22-12-10-19-13-22/h4-10,12-13H,2-3,11H2,1H3,(H,20,25)
InChIKeyALUOEKHTKYFKPK-UHFFFAOYSA-N
XLogP2.48
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
N-(3-acetamido-2-methylphenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 134019234
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
N-(2-imidazol-1-ylphenyl)decanamide
CID 12911522
1-butyl-6-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyridazine-3-carboxamide
CID 35275786
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
1-butyl-N-(2-cyclopentylsulfanylphenyl)-6-oxopyridazine-3-carboxamide
CID 32559088
1-butyl-N-(2,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161972
1-butyl-N-(2-chloro-4-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 55677510
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
1-butyl-6-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 38166467
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide (CID 47025477) is 1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)Nc2ccccc2-n2ccnc2)ccc1=O.
What is the InChIKey of 1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is ALUOEKHTKYFKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-3-11-23-17(24)9-8-15(21-23)18(25)20-14-6-4-5-7-16(14)22-12-10-19-13-22/h4-10,12-13H,2-3,11H2,1H3,(H,20,25).
What are the key properties of 1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 47025477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).