N-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide

C16H19N3O2 — CID 134802763

IUPACN-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide
SMILESCCC(C)NC(=O)c1ccccc1-c1ccc(OC)nn1
InChIInChI=1S/C16H19N3O2/c1-4-11(2)17-16(20)13-8-6-5-7-12(13)14-9-10-15(21-3)19-18-14/h5-11H,4H2,1-3H3,(H,17,20)
InChIKeyQZNNVUHVVSWCJU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.68
Rot. Bonds5

About N-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide

N-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 134802763) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide
PubChem CID134802763
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide
SMILESCCC(C)NC(=O)c1ccccc1-c1ccc(OC)nn1
InChIInChI=1S/C16H19N3O2/c1-4-11(2)17-16(20)13-8-6-5-7-12(13)14-9-10-15(21-3)19-18-14/h5-11H,4H2,1-3H3,(H,17,20)
InChIKeyQZNNVUHVVSWCJU-UHFFFAOYSA-N
XLogP2.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-2-(6-methoxypyridazin-3-yl)benzamide
CID 134803663
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-butan-2-yl-6-methoxypyridine-2-carboxamide
CID 110848498
N-butan-2-yl-2-propoxybenzamide
CID 71581291
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 92882452
N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 133150062
N-butan-2-yl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 2942479
N-butan-2-yl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 133150056
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(2R)-butan-2-yl]benzamide
CID 100508690
2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one
CID 82100962

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of N-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide (CID 134802763) is N-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for N-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for N-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide is CCC(C)NC(=O)c1ccccc1-c1ccc(OC)nn1.
What is the InChIKey of N-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is QZNNVUHVVSWCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-11(2)17-16(20)13-8-6-5-7-12(13)14-9-10-15(21-3)19-18-14/h5-11H,4H2,1-3H3,(H,17,20).
What are the key properties of N-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide?
N-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 285.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 134802763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).