1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide

C28H31N5O3 — CID 122445828

IUPAC1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(CCc2ccccc2)nn1)C1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C28H31N5O3/c34-27-18-23(20-33(27)25-11-7-22(8-12-25)19-32-14-16-36-17-15-32)28(35)29-26-13-10-24(30-31-26)9-6-21-4-2-1-3-5-21/h1-5,7-8,10-13,23H,6,9,14-20H2,(H,29,31,35)
InChIKeyHORVHTIOCSKVOV-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.09
Rot. Bonds8

About 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide

1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide (PubChem CID 122445828) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide
PubChem CID122445828
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(CCc2ccccc2)nn1)C1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C28H31N5O3/c34-27-18-23(20-33(27)25-11-7-22(8-12-25)19-32-14-16-36-17-15-32)28(35)29-26-13-10-24(30-31-26)9-6-21-4-2-1-3-5-21/h1-5,7-8,10-13,23H,6,9,14-20H2,(H,29,31,35)
InChIKeyHORVHTIOCSKVOV-UHFFFAOYSA-N
XLogP3.09
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

4-Morpholineethanamine, N-(4,6-diphenyl-3-pyridazinyl)-
CID 6410811
4-(morpholin-4-yl)-N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
CID 6539557
N-(4-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)propionamide
CID 7593463
N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422444
3-{3,5-Dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-(3-fluoro-4-methylphenyl)propanamide
CID 16027044
3-{3,5-Dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-(4-ethylphenyl)propanamide
CID 20946967
(4-Benzyl-6-phenyl-pyridazin-3-yl)-(2-morpholin-4-yl-ethyl)-amine
CID 6410813
US10138230, Example F155
CID 122445852
US10138230, Example F126
CID 122445930
US10138230, Example F149
CID 122445962
US10138230, Example F180
CID 122445965
US10138230, Example F178
CID 122445983

Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide (CID 122445828) is 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(CCc2ccccc2)nn1)C1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1.
What is the InChIKey of 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is HORVHTIOCSKVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c34-27-18-23(20-33(27)25-11-7-22(8-12-25)19-32-14-16-36-17-15-32)28(35)29-26-13-10-24(30-31-26)9-6-21-4-2-1-3-5-21/h1-5,7-8,10-13,23H,6,9,14-20H2,(H,29,31,35).
What are the key properties of 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide?
1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[6-(2-phenylethyl)pyridazin-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 122445828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).