1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide

C24H27N3O2 — CID 51923701

IUPAC1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide
SMILESCCc1ccc([C@H](NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C(C)C)cc1
InChIInChI=1S/C24H27N3O2/c1-4-18-10-12-20(13-11-18)23(17(2)3)25-24(29)21-14-15-22(28)27(26-21)16-19-8-6-5-7-9-19/h5-15,17,23H,4,16H2,1-3H3,(H,25,29)/t23-/m1/s1
InChIKeyOOFPVVKSCLDKER-HSZRJFAPSA-N
MW389.50 g/mol
LogP3.98
Rot. Bonds7

About 1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide

1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide (PubChem CID 51923701) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide
PubChem CID51923701
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide
SMILESCCc1ccc([C@H](NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C(C)C)cc1
InChIInChI=1S/C24H27N3O2/c1-4-18-10-12-20(13-11-18)23(17(2)3)25-24(29)21-14-15-22(28)27(26-21)16-19-8-6-5-7-9-19/h5-15,17,23H,4,16H2,1-3H3,(H,25,29)/t23-/m1/s1
InChIKeyOOFPVVKSCLDKER-HSZRJFAPSA-N
XLogP3.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 51213919
1-benzyl-N-[1-(4-bromophenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 42907397
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
CID 51923294
(2R)-2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364680
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-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide
CID 51308720
1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 16549936
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146
1-benzyl-6-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridazine-3-carboxamide
CID 17443641
ethyl 2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 112763429

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide (CID 51923701) is 1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide is CCc1ccc([C@H](NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)C(C)C)cc1.
What is the InChIKey of 1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is OOFPVVKSCLDKER-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-18-10-12-20(13-11-18)23(17(2)3)25-24(29)21-14-15-22(28)27(26-21)16-19-8-6-5-7-9-19/h5-15,17,23H,4,16H2,1-3H3,(H,25,29)/t23-/m1/s1.
What are the key properties of 1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51923701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).