N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

C16H19N3O2 — CID 110793511

IUPACN-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCCCc1ccc(CNC(=O)c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C16H19N3O2/c1-2-3-4-12-5-7-13(8-6-12)11-17-16(21)14-9-10-15(20)19-18-14/h5-10H,2-4,11H2,1H3,(H,17,21)(H,19,20)
InChIKeyLFHMLDAAMWOSST-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.04
Rot. Bonds6

About N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110793511) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110793511
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCCCc1ccc(CNC(=O)c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C16H19N3O2/c1-2-3-4-12-5-7-13(8-6-12)11-17-16(21)14-9-10-15(20)19-18-14/h5-10H,2-4,11H2,1H3,(H,17,21)(H,19,20)
InChIKeyLFHMLDAAMWOSST-UHFFFAOYSA-N
XLogP2.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
CID 110793755
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794473
N-[(4-cyclopentylsulfanylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794546
N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108573570
N-[(5-bromothiophen-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38637755
(4-butylphenyl)methylcarbamic acid
CID 22507604
N-[(6-methylpyridazin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746244
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794810
4-butyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735788
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103709190

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 110793511) is N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is CCCCc1ccc(CNC(=O)c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is LFHMLDAAMWOSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-3-4-12-5-7-13(8-6-12)11-17-16(21)14-9-10-15(20)19-18-14/h5-10H,2-4,11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110793511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).