N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide

C28H33N5O2 — CID 42832328

IUPACN-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide
SMILESCc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)C(C)C)CC3)nn2)cc1
InChIInChI=1S/C28H33N5O2/c1-21(2)28(35)33(19-23-7-5-4-6-8-23)20-27(34)32-17-15-31(16-18-32)26-14-13-25(29-30-26)24-11-9-22(3)10-12-24/h4-14,21H,15-20H2,1-3H3
InChIKeyISOAOQUJFGKEKS-UHFFFAOYSA-N
MW471.61 g/mol
LogP3.79
Rot. Bonds7

About N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide

N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide (PubChem CID 42832328) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide
PubChem CID42832328
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC NameN-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide
SMILESCc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)C(C)C)CC3)nn2)cc1
InChIInChI=1S/C28H33N5O2/c1-21(2)28(35)33(19-23-7-5-4-6-8-23)20-27(34)32-17-15-31(16-18-32)26-14-13-25(29-30-26)24-11-9-22(3)10-12-24/h4-14,21H,15-20H2,1-3H3
InChIKeyISOAOQUJFGKEKS-UHFFFAOYSA-N
XLogP3.79
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46147660
N-benzyl-4-chloro-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 42832331
N-benzyl-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 46147115
2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide
CID 93156371
2-methyl-N-[(2S)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide
CID 93156372
N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide
CID 46006196
N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide
CID 42832359
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 46000662
N-[(4-fluorophenyl)methyl]-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 46001575
N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide
CID 46006208
N-butan-2-yl-4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 42836541
2-methyl-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-[(1R)-1-phenylethyl]propanamide
CID 93156348

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide?
The IUPAC name of N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide (CID 42832328) is N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide.
What is the SMILES notation for N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide?
The canonical SMILES for N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide is Cc1ccc(-c2ccc(N3CCN(C(=O)CN(Cc4ccccc4)C(=O)C(C)C)CC3)nn2)cc1.
What is the InChIKey of N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide?
The InChIKey is ISOAOQUJFGKEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-21(2)28(35)33(19-23-7-5-4-6-8-23)20-27(34)32-17-15-31(16-18-32)26-14-13-25(29-30-26)24-11-9-22(3)10-12-24/h4-14,21H,15-20H2,1-3H3.
What are the key properties of N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide?
N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide has a molecular weight of 471.61 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide is sourced from PubChem (CID 42832328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).