N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide

C18H22N2O3 — CID 119456581

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)NC1CC3CCC(C1)N3)CO2
InChIInChI=1S/C18H22N2O3/c1-22-16-4-5-17-11(7-16)6-12(10-23-17)18(21)20-15-8-13-2-3-14(9-15)19-13/h4-7,13-15,19H,2-3,8-10H2,1H3,(H,20,21)
InChIKeyKERMEQDBMFRFLK-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.87
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide (PubChem CID 119456581) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide
PubChem CID119456581
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)NC1CC3CCC(C1)N3)CO2
InChIInChI=1S/C18H22N2O3/c1-22-16-4-5-17-11(7-16)6-12(10-23-17)18(21)20-15-8-13-2-3-14(9-15)19-13/h4-7,13-15,19H,2-3,8-10H2,1H3,(H,20,21)
InChIKeyKERMEQDBMFRFLK-UHFFFAOYSA-N
XLogP1.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-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

6-methoxy-N-(2-methylpiperidin-3-yl)-2H-chromene-3-carboxamide
CID 120574761
N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide
CID 119602105
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide
CID 166186910
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707
N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350
N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 1478813
6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride
CID 119461393
6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride
CID 119446270
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride
CID 119455135
propan-2-yl N-[2-[(6-methoxy-2H-chromene-3-carbonyl)amino]thiolane-3-carbonyl]carbamate
CID 123732711
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide (CID 119456581) is N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide is COc1ccc2c(c1)C=C(C(=O)NC1CC3CCC(C1)N3)CO2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide?
The InChIKey is KERMEQDBMFRFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-16-4-5-17-11(7-16)6-12(10-23-17)18(21)20-15-8-13-2-3-14(9-15)19-13/h4-7,13-15,19H,2-3,8-10H2,1H3,(H,20,21).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 119456581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).