2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide

C16H22N4O2 — CID 119871387

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCC(=O)Nc1cccnc1
InChIInChI=1S/C16H22N4O2/c21-15(8-11-6-12-3-4-13(7-11)19-12)18-10-16(22)20-14-2-1-5-17-9-14/h1-2,5,9,11-13,19H,3-4,6-8,10H2,(H,18,21)(H,20,22)
InChIKeyDCDGDMZRLFZRFT-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.06
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide (PubChem CID 119871387) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide
PubChem CID119871387
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCC(=O)Nc1cccnc1
InChIInChI=1S/C16H22N4O2/c21-15(8-11-6-12-3-4-13(7-11)19-12)18-10-16(22)20-14-2-1-5-17-9-14/h1-2,5,9,11-13,19H,3-4,6-8,10H2,(H,18,21)(H,20,22)
InChIKeyDCDGDMZRLFZRFT-UHFFFAOYSA-N
XLogP1.06
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide (CID 119871387) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide is O=C(CC1CC2CCC(C1)N2)NCC(=O)Nc1cccnc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide?
The InChIKey is DCDGDMZRLFZRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(8-11-6-12-3-4-13(7-11)19-12)18-10-16(22)20-14-2-1-5-17-9-14/h1-2,5,9,11-13,19H,3-4,6-8,10H2,(H,18,21)(H,20,22).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide is sourced from PubChem (CID 119871387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).