1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide

C22H23N3O3 — CID 32821069

IUPAC1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide
SMILESCC[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccc(OC)cc1
InChIInChI=1S/C22H23N3O3/c1-3-19(17-9-11-18(28-2)12-10-17)23-22(27)20-13-14-21(26)25(24-20)15-16-7-5-4-6-8-16/h4-14,19H,3,15H2,1-2H3,(H,23,27)/t19-/m0/s1
InChIKeyAODJRHQFXZXAEU-IBGZPJMESA-N
MW377.44 g/mol
LogP3.18
Rot. Bonds7

About 1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide

1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide (PubChem CID 32821069) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide
PubChem CID32821069
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide
SMILESCC[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccc(OC)cc1
InChIInChI=1S/C22H23N3O3/c1-3-19(17-9-11-18(28-2)12-10-17)23-22(27)20-13-14-21(26)25(24-20)15-16-7-5-4-6-8-16/h4-14,19H,3,15H2,1-2H3,(H,23,27)/t19-/m0/s1
InChIKeyAODJRHQFXZXAEU-IBGZPJMESA-N
XLogP3.18
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 32821068
1-benzyl-N-[1-(4-bromophenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 42907397
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
1-benzyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide
CID 112789918
1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide
CID 51923701
N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide
CID 51308720
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
N-[1-(4-methoxyphenyl)propyl]-6-methylpyridine-2-carboxamide
CID 134001680
1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 112764484
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247979
1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 31526625
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
CID 51923294

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide (CID 32821069) is 1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide is CC[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccc(OC)cc1.
What is the InChIKey of 1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is AODJRHQFXZXAEU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-19(17-9-11-18(28-2)12-10-17)23-22(27)20-13-14-21(26)25(24-20)15-16-7-5-4-6-8-16/h4-14,19H,3,15H2,1-2H3,(H,23,27)/t19-/m0/s1.
What are the key properties of 1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 32821069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).