4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide

C27H29N5O3 — CID 46146792

IUPAC4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide
SMILESC=CCN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C27H29N5O3/c1-3-15-32(27(34)22-9-11-23(35-2)12-10-22)20-26(33)31-18-16-30(17-19-31)25-14-13-24(28-29-25)21-7-5-4-6-8-21/h3-14H,1,15-20H2,2H3
InChIKeyHGVQEBNTOAMVCX-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.13
Rot. Bonds8

About 4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide

4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide (PubChem CID 46146792) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide
PubChem CID46146792
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide
SMILESC=CCN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C27H29N5O3/c1-3-15-32(27(34)22-9-11-23(35-2)12-10-22)20-26(33)31-18-16-30(17-19-31)25-14-13-24(28-29-25)21-7-5-4-6-8-21/h3-14H,1,15-20H2,2H3
InChIKeyHGVQEBNTOAMVCX-UHFFFAOYSA-N
XLogP3.13
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(3-methylbutyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 46006213
N-benzyl-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 46147115
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 46000551
N-[2-[4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-4-methyl-N-prop-2-enylbenzamide
CID 46000836
N-ethyl-N-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 42833198
4-fluoro-N-(2-methoxyethyl)-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 42831842
4-chloro-N-(2-methoxyethyl)-N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 42831848
N-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-(1-phenylethyl)benzamide
CID 46147783
4-methoxy-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-[(1S)-1-phenylethyl]benzamide
CID 98442536
3-methoxy-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 98371817
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[2-[4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 46001579
N-butyl-3-methoxy-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 46003619

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide (CID 46146792) is 4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide is C=CCN(CC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide?
The InChIKey is HGVQEBNTOAMVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-3-15-32(27(34)22-9-11-23(35-2)12-10-22)20-26(33)31-18-16-30(17-19-31)25-14-13-24(28-29-25)21-7-5-4-6-8-21/h3-14H,1,15-20H2,2H3.
What are the key properties of 4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide?
4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide has a molecular weight of 471.56 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 46146792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).