(2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide

C20H24N4O2 — CID 126429373

IUPAC(2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide
SMILESCC(C)[C@@H]1C=CCN1C(=O)NCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C20H24N4O2/c1-15(2)18-9-6-13-23(18)20(26)21-12-14-24-19(25)11-10-17(22-24)16-7-4-3-5-8-16/h3-11,15,18H,12-14H2,1-2H3,(H,21,26)/t18-/m0/s1
InChIKeyLERPWZLWVQMSLO-SFHVURJKSA-N
MW352.44 g/mol
LogP2.52
Rot. Bonds5

About (2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide

(2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide (PubChem CID 126429373) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide
PubChem CID126429373
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide
SMILESCC(C)[C@@H]1C=CCN1C(=O)NCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C20H24N4O2/c1-15(2)18-9-6-13-23(18)20(26)21-12-14-24-19(25)11-10-17(22-24)16-7-4-3-5-8-16/h3-11,15,18H,12-14H2,1-2H3,(H,21,26)/t18-/m0/s1
InChIKeyLERPWZLWVQMSLO-SFHVURJKSA-N
XLogP2.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 156607565
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2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide
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2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one
CID 95122748
2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one
CID 13103478
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
2-ethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72931856
1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea
CID 71317796
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
1-benzyl-3-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]ethyl]urea
CID 42109840

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of (2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide (CID 126429373) is (2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for (2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for (2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide is CC(C)[C@@H]1C=CCN1C(=O)NCCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of (2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is LERPWZLWVQMSLO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15(2)18-9-6-13-23(18)20(26)21-12-14-24-19(25)11-10-17(22-24)16-7-4-3-5-8-16/h3-11,15,18H,12-14H2,1-2H3,(H,21,26)/t18-/m0/s1.
What are the key properties of (2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide?
(2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 126429373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).