N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide

C20H18N4O3 — CID 51308720

IUPACN-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide
SMILESNC(=O)C(NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H18N4O3/c21-19(26)18(15-9-5-2-6-10-15)22-20(27)16-11-12-17(25)24(23-16)13-14-7-3-1-4-8-14/h1-12,18H,13H2,(H2,21,26)(H,22,27)
InChIKeyMGKCKIRQHWUTPD-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.25
Rot. Bonds6

About N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide (PubChem CID 51308720) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide
PubChem CID51308720
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide
SMILESNC(=O)C(NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H18N4O3/c21-19(26)18(15-9-5-2-6-10-15)22-20(27)16-11-12-17(25)24(23-16)13-14-7-3-1-4-8-14/h1-12,18H,13H2,(H2,21,26)(H,22,27)
InChIKeyMGKCKIRQHWUTPD-UHFFFAOYSA-N
XLogP1.25
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.25
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
(2R)-2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364680
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146
1-benzyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 32821068
1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 32821069
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257
1-benzyl-N-[1-(4-bromophenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 42907397
1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide
CID 51923701
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
CID 51923294
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide
CID 119612211

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide (CID 51308720) is N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide is NC(=O)C(NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide?
The InChIKey is MGKCKIRQHWUTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c21-19(26)18(15-9-5-2-6-10-15)22-20(27)16-11-12-17(25)24(23-16)13-14-7-3-1-4-8-14/h1-12,18H,13H2,(H2,21,26)(H,22,27).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51308720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).