1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide

C18H22N4O3 — CID 51923294

IUPAC1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C18H22N4O3/c1-3-11-19-17(24)13(2)20-18(25)15-9-10-16(23)22(21-15)12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,24)(H,20,25)/t13-/m0/s1
InChIKeyMSCZMONYFZCQTH-ZDUSSCGKSA-N
MW342.40 g/mol
LogP0.94
Rot. Bonds7

About 1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide

1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide (PubChem CID 51923294) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
PubChem CID51923294
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C18H22N4O3/c1-3-11-19-17(24)13(2)20-18(25)15-9-10-16(23)22(21-15)12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,24)(H,20,25)/t13-/m0/s1
InChIKeyMSCZMONYFZCQTH-ZDUSSCGKSA-N
XLogP0.94
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.94
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-3,5-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 46612646
1-benzyl-5-chloro-3-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 9227721
(2R)-2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364680
1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide
CID 51923701
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 37430350
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257
1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 111695210
1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 134058913

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide (CID 51923294) is 1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide is CCCNC(=O)[C@H](C)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide?
The InChIKey is MSCZMONYFZCQTH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-11-19-17(24)13(2)20-18(25)15-9-10-16(23)22(21-15)12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,19,24)(H,20,25)/t13-/m0/s1.
What are the key properties of 1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide?
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.94, 7 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-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 51923294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).