N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide

C34H35N5O2 — CID 46006208

IUPACN-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide
SMILESO=C(CN(CC1CC1)C(=O)Cc1ccccc1)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1
InChIInChI=1S/C34H35N5O2/c40-33(23-26-7-3-1-4-8-26)39(24-27-11-12-27)25-34(41)38-21-19-37(20-22-38)32-18-17-31(35-36-32)30-15-13-29(14-16-30)28-9-5-2-6-10-28/h1-10,13-18,27H,11-12,19-25H2
InChIKeySOUPKGIVYNPTJV-UHFFFAOYSA-N
MW545.69 g/mol
LogP4.94
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide

N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide (PubChem CID 46006208) has the molecular formula C34H35N5O2 and a molecular weight of 545.69 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide
PubChem CID46006208
Molecular FormulaC34H35N5O2
Molecular Weight545.69 g/mol
Exact Mass545.28
IUPAC NameN-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide
SMILESO=C(CN(CC1CC1)C(=O)Cc1ccccc1)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1
InChIInChI=1S/C34H35N5O2/c40-33(23-26-7-3-1-4-8-26)39(24-27-11-12-27)25-34(41)38-21-19-37(20-22-38)32-18-17-31(35-36-32)30-15-13-29(14-16-30)28-9-5-2-6-10-28/h1-10,13-18,27H,11-12,19-25H2
InChIKeySOUPKGIVYNPTJV-UHFFFAOYSA-N
XLogP4.94
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.69
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide
CID 46006196
N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 46006197
2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 83278599
N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide
CID 42832328
N-benzyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46147660
N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)cyclobutanecarboxamide
CID 42832359
N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]propanamide
CID 42836560
N-butyl-N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 42833302
3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide
CID 93160222
N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylacetamide
CID 42835185
N-[2-(diethylamino)ethyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]acetamide
CID 42836553
2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058240

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide (CID 46006208) is N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide is O=C(CN(CC1CC1)C(=O)Cc1ccccc1)N1CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide?
The InChIKey is SOUPKGIVYNPTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N5O2/c40-33(23-26-7-3-1-4-8-26)39(24-27-11-12-27)25-34(41)38-21-19-37(20-22-38)32-18-17-31(35-36-32)30-15-13-29(14-16-30)28-9-5-2-6-10-28/h1-10,13-18,27H,11-12,19-25H2.
What are the key properties of N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide?
N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide has a molecular weight of 545.69 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 46006208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).