3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol

C19H20N4O — CID 91767951

IUPAC3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol
SMILESOC1CC(C(Cc2ccccn2)Nc2cnc3ccccc3n2)C1
InChIInChI=1S/C19H20N4O/c24-15-9-13(10-15)18(11-14-5-3-4-8-20-14)23-19-12-21-16-6-1-2-7-17(16)22-19/h1-8,12-13,15,18,24H,9-11H2,(H,22,23)
InChIKeyZPKUBPRSGGTWFR-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.82
Rot. Bonds5

About 3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol

3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol (PubChem CID 91767951) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol
PubChem CID91767951
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol
SMILESOC1CC(C(Cc2ccccn2)Nc2cnc3ccccc3n2)C1
InChIInChI=1S/C19H20N4O/c24-15-9-13(10-15)18(11-14-5-3-4-8-20-14)23-19-12-21-16-6-1-2-7-17(16)22-19/h1-8,12-13,15,18,24H,9-11H2,(H,22,23)
InChIKeyZPKUBPRSGGTWFR-UHFFFAOYSA-N
XLogP2.82
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridin-2-ylethyl]cyclobutan-1-ol
CID 91784849
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91784792
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 91789615
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 91775415
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide
CID 91767745
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 91762352
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 91797220
2-(2,3-difluorophenyl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]acetamide
CID 91770411
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 91788033
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91788138
1-cyclopropyl-N-methyl-2-pyridin-2-ylethanamine
CID 63352689
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]acetamide
CID 91786823

Frequently Asked Questions

What is the IUPAC name of 3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol?
The IUPAC name of 3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol (CID 91767951) is 3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol is OC1CC(C(Cc2ccccn2)Nc2cnc3ccccc3n2)C1.
What is the InChIKey of 3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol?
The InChIKey is ZPKUBPRSGGTWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-15-9-13(10-15)18(11-14-5-3-4-8-20-14)23-19-12-21-16-6-1-2-7-17(16)22-19/h1-8,12-13,15,18,24H,9-11H2,(H,22,23).
What are the key properties of 3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol?
3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol has a molecular weight of 320.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-pyridin-2-yl-1-(quinoxalin-2-ylamino)ethyl]cyclobutan-1-ol is sourced from PubChem (CID 91767951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).