N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide

C30H35N5O2 — CID 42832359

IUPACN-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide
SMILESCc1ccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)C4CCC4)CC3)nn2)cc1
InChIInChI=1S/C30H35N5O2/c1-23-10-12-25(13-11-23)27-14-15-28(32-31-27)33-18-20-34(21-19-33)29(36)22-35(30(37)26-8-5-9-26)17-16-24-6-3-2-4-7-24/h2-4,6-7,10-15,26H,5,8-9,16-22H2,1H3
InChIKeyFARKJHLIQKWCTP-UHFFFAOYSA-N
MW497.64 g/mol
LogP3.97
Rot. Bonds8

About N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide

N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide (PubChem CID 42832359) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide
PubChem CID42832359
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC NameN-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide
SMILESCc1ccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)C4CCC4)CC3)nn2)cc1
InChIInChI=1S/C30H35N5O2/c1-23-10-12-25(13-11-23)27-14-15-28(32-31-27)33-18-20-34(21-19-33)29(36)22-35(30(37)26-8-5-9-26)17-16-24-6-3-2-4-7-24/h2-4,6-7,10-15,26H,5,8-9,16-22H2,1H3
InChIKeyFARKJHLIQKWCTP-UHFFFAOYSA-N
XLogP3.97
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 53.97
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-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 46006197
N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide
CID 42832328
N-butan-2-yl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclobutanecarboxamide
CID 42832697
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 46000662
N-(oxolan-2-ylmethyl)-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl]cyclobutanecarboxamide
CID 42833251
N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 93156597
N-benzyl-4-chloro-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 42832331
N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide
CID 46006208
N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 46001563
N-benzyl-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 46147115
N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide
CID 46006196

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide?
The IUPAC name of N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide (CID 42832359) is N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide?
The canonical SMILES for N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide is Cc1ccc(-c2ccc(N3CCN(C(=O)CN(CCc4ccccc4)C(=O)C4CCC4)CC3)nn2)cc1.
What is the InChIKey of N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide?
The InChIKey is FARKJHLIQKWCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-23-10-12-25(13-11-23)27-14-15-28(32-31-27)33-18-20-34(21-19-33)29(36)22-35(30(37)26-8-5-9-26)17-16-24-6-3-2-4-7-24/h2-4,6-7,10-15,26H,5,8-9,16-22H2,1H3.
What are the key properties of N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide?
N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide has a molecular weight of 497.64 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide is sourced from PubChem (CID 42832359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).