N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide

C17H20N2O2 — CID 23394133

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc2c(c1)C=CCO2
InChIInChI=1S/C17H20N2O2/c20-17(18-15-11-19-7-5-12(15)6-8-19)14-3-4-16-13(10-14)2-1-9-21-16/h1-4,10,12,15H,5-9,11H2,(H,18,20)/t15-/m0/s1
InChIKeyLIPFPTTWJOEZMN-HNNXBMFYSA-N
MW284.36 g/mol
LogP1.92
Rot. Bonds2

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide (PubChem CID 23394133) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide
PubChem CID23394133
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1ccc2c(c1)C=CCO2
InChIInChI=1S/C17H20N2O2/c20-17(18-15-11-19-7-5-12(15)6-8-19)14-3-4-16-13(10-14)2-1-9-21-16/h1-4,10,12,15H,5-9,11H2,(H,18,20)/t15-/m0/s1
InChIKeyLIPFPTTWJOEZMN-HNNXBMFYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide;(E)-but-2-enedioic acid
CID 23394132
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-5-(13C)carboxamide
CID 10107236
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1-benzofuran-6-carboxamide
CID 22481785
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-1-benzofuran-6-carboxamide
CID 10356529
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-benzothiophene-5-carboxamide
CID 23529193
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzamide
CID 16787826
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-bromo-4-methylbenzamide
CID 81472016
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-iodobenzamide
CID 58932943
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-methylbenzamide
CID 16793700
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.2]octan-3-yl)phenazine-2-carboxamide
CID 12985341

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide (CID 23394133) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1ccc2c(c1)C=CCO2.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide?
The InChIKey is LIPFPTTWJOEZMN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(18-15-11-19-7-5-12(15)6-8-19)14-3-4-16-13(10-14)2-1-9-21-16/h1-4,10,12,15H,5-9,11H2,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2H-chromene-6-carboxamide is sourced from PubChem (CID 23394133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).