1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride

C16H19ClN4O2 — CID 119453902

IUPAC1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C16H18N4O2.ClH/c21-15-7-6-14(16(22)18-13-8-9-17-10-13)19-20(15)11-12-4-2-1-3-5-12;/h1-7,13,17H,8-11H2,(H,18,22);1H
InChIKeyMUUGKQWKUBGRHR-UHFFFAOYSA-N
MW334.81 g/mol
LogP0.81
Rot. Bonds4

About 1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride

1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride (PubChem CID 119453902) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride
PubChem CID119453902
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C16H18N4O2.ClH/c21-15-7-6-14(16(22)18-13-8-9-17-10-13)19-20(15)11-12-4-2-1-3-5-12;/h1-7,13,17H,8-11H2,(H,18,22);1H
InChIKeyMUUGKQWKUBGRHR-UHFFFAOYSA-N
XLogP0.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,3R)-3-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676410
N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide
CID 119612211
2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride
CID 119403547
1-benzyl-6-oxo-N-propyl-N-pyrrolidin-3-ylpyridazine-3-carboxamide
CID 119532868
1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide
CID 111426248
1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide
CID 38857490
5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 56712060
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide
CID 51308720
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide
CID 2469379

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride?
The IUPAC name of 1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride (CID 119453902) is 1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride?
The InChIKey is MUUGKQWKUBGRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2.ClH/c21-15-7-6-14(16(22)18-13-8-9-17-10-13)19-20(15)11-12-4-2-1-3-5-12;/h1-7,13,17H,8-11H2,(H,18,22);1H.
What are the key properties of 1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride?
1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride has a molecular weight of 334.81 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119453902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).