N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide

C20H23N5O2 — CID 139547940

IUPACN-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide
SMILESCC(CO)c1ccc(CC(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)cc1
InChIInChI=1S/C20H23N5O2/c1-14(13-26)16-4-2-15(3-5-16)10-20(27)22-18-8-9-25(12-18)19-7-6-17(11-21)23-24-19/h2-7,14,18,26H,8-10,12-13H2,1H3,(H,22,27)/t14?,18-/m0/s1
InChIKeyAVIRNFHBBOMZQZ-IBYPIGCZSA-N
MW365.44 g/mol
LogP1.38
Rot. Bonds6

About N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide

N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide (PubChem CID 139547940) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide
PubChem CID139547940
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide
SMILESCC(CO)c1ccc(CC(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)cc1
InChIInChI=1S/C20H23N5O2/c1-14(13-26)16-4-2-15(3-5-16)10-20(27)22-18-8-9-25(12-18)19-7-6-17(11-21)23-24-19/h2-7,14,18,26H,8-10,12-13H2,1H3,(H,22,27)/t14?,18-/m0/s1
InChIKeyAVIRNFHBBOMZQZ-IBYPIGCZSA-N
XLogP1.38
TPSA102.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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]-2-(4-propan-2-ylphenyl)acetamide;methanol
CID 145425836
6-[3-[3-[4-(1-aminopropan-2-yl)phenyl]-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145426005
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-[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-(3-fluoro-4-propan-2-ylphenyl)-2-oxopropyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425953
6-[4-(methylamino)piperidin-1-yl]pyridazine-3-carbonitrile;hydrochloride
CID 121283820
2-[4-(1-aminopropan-2-yl)phenyl]-N-[(3R,4S)-1-(6-ethynylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]acetamide
CID 159528452
4-tert-butyl-N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]benzenesulfonamide
CID 139547891
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425808

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide?
The IUPAC name of N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide (CID 139547940) is N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide is CC(CO)c1ccc(CC(=O)N[C@H]2CCN(c3ccc(C#N)nn3)C2)cc1.
What is the InChIKey of N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide?
The InChIKey is AVIRNFHBBOMZQZ-IBYPIGCZSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14(13-26)16-4-2-15(3-5-16)10-20(27)22-18-8-9-25(12-18)19-7-6-17(11-21)23-24-19/h2-7,14,18,26H,8-10,12-13H2,1H3,(H,22,27)/t14?,18-/m0/s1.
What are the key properties of N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide?
N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide has a molecular weight of 365.44 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-[4-(1-hydroxypropan-2-yl)phenyl]acetamide is sourced from PubChem (CID 139547940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).