N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride

C16H21ClN4O2 — CID 119630257

IUPACN-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-16(2,17)11-18-15(22)13-8-9-14(21)20(19-13)10-12-6-4-3-5-7-12;/h3-9H,10-11,17H2,1-2H3,(H,18,22);1H
InChIKeyJPCJQXBUUATTGQ-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.18
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride (PubChem CID 119630257) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
PubChem CID119630257
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC NameN-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
SMILESCC(C)(N)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1.Cl
InChIInChI=1S/C16H20N4O2.ClH/c1-16(2,17)11-18-15(22)13-8-9-14(21)20(19-13)10-12-6-4-3-5-7-12;/h3-9H,10-11,17H2,1-2H3,(H,18,22);1H
InChIKeyJPCJQXBUUATTGQ-UHFFFAOYSA-N
XLogP1.18
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121033347
1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 31287347
1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide
CID 38857490
1-benzyl-N-[2-(2-nitroanilino)ethyl]-6-oxopyridazine-3-carboxamide
CID 9278557
1-benzyl-N-(1-methylpyrazol-3-yl)-6-oxopyridazine-3-carboxamide
CID 51237900
N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide
CID 51308720
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
CID 51923294
1-benzyl-6-oxo-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 35864486

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride (CID 119630257) is N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride is CC(C)(N)CNC(=O)c1ccc(=O)n(Cc2ccccc2)n1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride?
The InChIKey is JPCJQXBUUATTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.ClH/c1-16(2,17)11-18-15(22)13-8-9-14(21)20(19-13)10-12-6-4-3-5-7-12;/h3-9H,10-11,17H2,1-2H3,(H,18,22);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119630257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).