N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide

C18H23N5O3 — CID 121178349

IUPACN-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCOc1cccc(NC(=O)N2C3CCC2CC(n2nccn2)C3)c1OC
InChIInChI=1S/C18H23N5O3/c1-25-16-5-3-4-15(17(16)26-2)21-18(24)22-12-6-7-13(22)11-14(10-12)23-19-8-9-20-23/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,21,24)
InChIKeyGTYUTIGDTIZDKP-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.70
Rot. Bonds4

About N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide

N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 121178349) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID121178349
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCOc1cccc(NC(=O)N2C3CCC2CC(n2nccn2)C3)c1OC
InChIInChI=1S/C18H23N5O3/c1-25-16-5-3-4-15(17(16)26-2)21-18(24)22-12-6-7-13(22)11-14(10-12)23-19-8-9-20-23/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,21,24)
InChIKeyGTYUTIGDTIZDKP-UHFFFAOYSA-N
XLogP2.70
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-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-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165128
(1S,5S)-N-(2,3-dimethoxyphenyl)-3-methylsulfanyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129409738
3-benzamido-N-(2-methoxyphenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 3218255
N-(2,3-dimethoxyphenyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122249694
4-[(3-bromo-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 71799516
3-pyridin-4-yloxy-N-(3,4,5-trimethoxyphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186664
N-(2,3-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylazetidine-1-carboxamide
CID 90593176
(6-methoxy-3-pyridinyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178262
3-[(4-cyano-2-pyridinyl)oxy]-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide
CID 122252567
N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195642
3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 122259565
N-(2,3-dimethoxyphenyl)-4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 171991175

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 121178349) is N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide is COc1cccc(NC(=O)N2C3CCC2CC(n2nccn2)C3)c1OC.
What is the InChIKey of N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is GTYUTIGDTIZDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-25-16-5-3-4-15(17(16)26-2)21-18(24)22-12-6-7-13(22)11-14(10-12)23-19-8-9-20-23/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxyphenyl)-3-(triazol-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 121178349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).