1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide

C19H25N3O2 — CID 51213919

IUPAC1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(c2ccccc2)C(C)C)ccc1=O
InChIInChI=1S/C19H25N3O2/c1-4-5-13-22-17(23)12-11-16(21-22)19(24)20-18(14(2)3)15-9-7-6-8-10-15/h6-12,14,18H,4-5,13H2,1-3H3,(H,20,24)
InChIKeyPYRMLQSASLJNRI-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.17
Rot. Bonds7

About 1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide (PubChem CID 51213919) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
PubChem CID51213919
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC(c2ccccc2)C(C)C)ccc1=O
InChIInChI=1S/C19H25N3O2/c1-4-5-13-22-17(23)12-11-16(21-22)19(24)20-18(14(2)3)15-9-7-6-8-10-15/h6-12,14,18H,4-5,13H2,1-3H3,(H,20,24)
InChIKeyPYRMLQSASLJNRI-UHFFFAOYSA-N
XLogP3.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-butyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
CID 79246006
1-butyl-N-(1-naphthalen-1-ylethyl)-6-oxopyridazine-3-carboxamide
CID 78778121
1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 111471904
1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide
CID 51923701
1-butyl-6-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 60513317
1-butyl-6-oxo-N'-phenylpyridazine-3-carbohydrazide
CID 78774773
1-butyl-N-[1-(4-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 78775928
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512
1-butyl-6-oxo-N-[4-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55527707
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide (CID 51213919) is 1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NC(c2ccccc2)C(C)C)ccc1=O.
What is the InChIKey of 1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is PYRMLQSASLJNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-5-13-22-17(23)12-11-16(21-22)19(24)20-18(14(2)3)15-9-7-6-8-10-15/h6-12,14,18H,4-5,13H2,1-3H3,(H,20,24).
What are the key properties of 1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51213919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).