N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide

C21H23N3O2 — CID 91777146

IUPACN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NC(Cc1ccncc1)C1CC(O)C1
InChIInChI=1S/C21H23N3O2/c25-17-10-15(11-17)20(9-14-5-7-22-8-6-14)24-21(26)12-16-13-23-19-4-2-1-3-18(16)19/h1-8,13,15,17,20,23,25H,9-12H2,(H,24,26)
InChIKeyHLCKNSBAKRHYHC-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.60
Rot. Bonds6

About N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 91777146) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID91777146
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NC(Cc1ccncc1)C1CC(O)C1
InChIInChI=1S/C21H23N3O2/c25-17-10-15(11-17)20(9-14-5-7-22-8-6-14)24-21(26)12-16-13-23-19-4-2-1-3-18(16)19/h1-8,13,15,17,20,23,25H,9-12H2,(H,24,26)
InChIKeyHLCKNSBAKRHYHC-UHFFFAOYSA-N
XLogP2.60
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-(1H-indol-3-yl)acetamide
CID 91777299
N-[1-(3-hydroxycyclobutyl)propyl]-2-pyridin-4-ylacetamide
CID 91781242
3-(2-fluorophenyl)-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]propanamide
CID 91766999
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide
CID 9442039
(2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 7033653
N-(1-cyclopropylbutan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 63996376
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide
CID 91776192
N-[1-(3-hydroxycyclobutyl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91788825
2-(1H-indol-3-yl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 47090271
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(1H-indol-3-yl)acetamide
CID 43594469
2-(1H-indol-3-yl)-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide
CID 103767102

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide (CID 91777146) is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NC(Cc1ccncc1)C1CC(O)C1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is HLCKNSBAKRHYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-17-10-15(11-17)20(9-14-5-7-22-8-6-14)24-21(26)12-16-13-23-19-4-2-1-3-18(16)19/h1-8,13,15,17,20,23,25H,9-12H2,(H,24,26).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide?
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 91777146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).