N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide

C21H28N4O — CID 159018139

IUPACN-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc(N2CC[C@](C)(NC(=O)Cc3ccc(C(C)C)cc3)C2)nn1
InChIInChI=1S/C21H28N4O/c1-15(2)18-8-6-17(7-9-18)13-20(26)22-21(4)11-12-25(14-21)19-10-5-16(3)23-24-19/h5-10,15H,11-14H2,1-4H3,(H,22,26)/t21-/m0/s1
InChIKeyPGOQRJWHGFZQIV-NRFANRHFSA-N
MW352.48 g/mol
LogP3.24
Rot. Bonds5

About N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide

N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 159018139) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID159018139
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCc1ccc(N2CC[C@](C)(NC(=O)Cc3ccc(C(C)C)cc3)C2)nn1
InChIInChI=1S/C21H28N4O/c1-15(2)18-8-6-17(7-9-18)13-20(26)22-21(4)11-12-25(14-21)19-10-5-16(3)23-24-19/h5-10,15H,11-14H2,1-4H3,(H,22,26)/t21-/m0/s1
InChIKeyPGOQRJWHGFZQIV-NRFANRHFSA-N
XLogP3.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-4-(methylamino)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 158954964
N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 157444837
7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 159999194
1-[(3aS,6aR)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 161222245
N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol
CID 145425836
carbon dioxide;N-[3-methyl-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 165026615
N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide
CID 157429869
N-[(3S,4S)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide
CID 157429872
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(5-propan-2-yl-2-pyridinyl)ethanone
CID 157200827
(2S)-2-methyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 157444836
(2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 157444839
6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 133473201

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide (CID 159018139) is N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide is Cc1ccc(N2CC[C@](C)(NC(=O)Cc3ccc(C(C)C)cc3)C2)nn1.
What is the InChIKey of N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is PGOQRJWHGFZQIV-NRFANRHFSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15(2)18-8-6-17(7-9-18)13-20(26)22-21(4)11-12-25(14-21)19-10-5-16(3)23-24-19/h5-10,15H,11-14H2,1-4H3,(H,22,26)/t21-/m0/s1.
What are the key properties of N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide?
N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 159018139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).