N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide

C21H23N3O2 — CID 91767745

IUPACN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)NC(Cc1ccccn1)C1CC(O)C1
InChIInChI=1S/C21H23N3O2/c25-18-11-16(12-18)19(13-17-6-3-4-9-22-17)23-21(26)14-24-10-8-15-5-1-2-7-20(15)24/h1-10,16,18-19,25H,11-14H2,(H,23,26)
InChIKeyYBTOWOHBOMLCMF-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.53
Rot. Bonds6

About N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide

N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide (PubChem CID 91767745) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide
PubChem CID91767745
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)NC(Cc1ccccn1)C1CC(O)C1
InChIInChI=1S/C21H23N3O2/c25-18-11-16(12-18)19(13-17-6-3-4-9-22-17)23-21(26)14-24-10-8-15-5-1-2-7-20(15)24/h1-10,16,18-19,25H,11-14H2,(H,23,26)
InChIKeyYBTOWOHBOMLCMF-UHFFFAOYSA-N
XLogP2.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-indol-1-ylacetamide
CID 91766951
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]acetamide
CID 91786823
2-(2,3-difluorophenyl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]acetamide
CID 91770411
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]imidazo[1,2-b]pyridazine-3-carboxamide
CID 91762352
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 91789615
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 91786219
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91788138
2-indol-1-yl-N-[(1R)-1-(oxan-4-yl)propyl]acetamide
CID 95784949
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91784792
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 91797220
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 91788033

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide (CID 91767745) is N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide is O=C(Cn1ccc2ccccc21)NC(Cc1ccccn1)C1CC(O)C1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide?
The InChIKey is YBTOWOHBOMLCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-18-11-16(12-18)19(13-17-6-3-4-9-22-17)23-21(26)14-24-10-8-15-5-1-2-7-20(15)24/h1-10,16,18-19,25H,11-14H2,(H,23,26).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide?
N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide has a molecular weight of 349.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-pyridin-2-ylethyl]-2-indol-1-ylacetamide is sourced from PubChem (CID 91767745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).