N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol

C21H27N5O2 — CID 145425836

IUPACN-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol
SMILESCC(C)c1ccc(CC(=O)NC2CCN(c3ccc(C#N)nn3)C2)cc1.CO
InChIInChI=1S/C20H23N5O.CH4O/c1-14(2)16-5-3-15(4-6-16)11-20(26)22-18-9-10-25(13-18)19-8-7-17(12-21)23-24-19;1-2/h3-8,14,18H,9-11,13H2,1-2H3,(H,22,26);2H,1H3
InChIKeyPBBZLZOAAJKCIP-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.02
Rot. Bonds5

About N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol

N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol (PubChem CID 145425836) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol.

Molecular Properties

Compound NameN-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol
PubChem CID145425836
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol
SMILESCC(C)c1ccc(CC(=O)NC2CCN(c3ccc(C#N)nn3)C2)cc1.CO
InChIInChI=1S/C20H23N5O.CH4O/c1-14(2)16-5-3-15(4-6-16)11-20(26)22-18-9-10-25(13-18)19-8-7-17(12-21)23-24-19;1-2/h3-8,14,18H,9-11,13H2,1-2H3,(H,22,26);2H,1H3
InChIKeyPBBZLZOAAJKCIP-UHFFFAOYSA-N
XLogP2.02
TPSA102.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide
CID 139547940
6-[(3R)-3-[[1-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 167119983
N-[(3R,4R)-1-(6-cyanopyridazin-3-yl)-4-(methylamino)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 139547772
N-[(3R)-1-(6-ethynylpyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide
CID 158681242
N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]formamide;N-methyl-4-propan-2-ylaniline
CID 145425981
6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425940
6-[3-[3-[4-(1-aminopropan-2-yl)phenyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145426005
(4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate
CID 139547658
1-[(3S)-1-(6-cyanopyridazin-3-yl)-4-oxopyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548157
1-[(3S,4S)-1-(6-cyanopyridazin-3-yl)-4-(methylamino)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548282
6-[3-[3-(3-fluoro-4-propan-2-ylphenyl)-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425953
1-[(3S,4R)-1-(6-cyanopyridazin-3-yl)-4-(hydroxymethyl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548160

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol?
The IUPAC name of N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol (CID 145425836) is N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol.
What is the SMILES notation for N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol?
The canonical SMILES for N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol is CC(C)c1ccc(CC(=O)NC2CCN(c3ccc(C#N)nn3)C2)cc1.CO.
What is the InChIKey of N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol?
The InChIKey is PBBZLZOAAJKCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.CH4O/c1-14(2)16-5-3-15(4-6-16)11-20(26)22-18-9-10-25(13-18)19-8-7-17(12-21)23-24-19;1-2/h3-8,14,18H,9-11,13H2,1-2H3,(H,22,26);2H,1H3.
What are the key properties of N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol?
N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol has a molecular weight of 381.48 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol is sourced from PubChem (CID 145425836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).