N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

C19H23N3O2 — CID 49286489

IUPACN-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESCOc1ccc(C#N)cc1NC(=O)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C19H23N3O2/c1-24-18-3-2-12(10-20)9-17(18)21-19(23)22-11-15-5-13-4-14(6-15)8-16(22)7-13/h2-3,9,13-16H,4-8,11H2,1H3,(H,21,23)
InChIKeyJHKSFWJRDVQASZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.61
Rot. Bonds2

About N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (PubChem CID 49286489) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
PubChem CID49286489
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESCOc1ccc(C#N)cc1NC(=O)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C19H23N3O2/c1-24-18-3-2-12(10-20)9-17(18)21-19(23)22-11-15-5-13-4-14(6-15)8-16(22)7-13/h2-3,9,13-16H,4-8,11H2,1H3,(H,21,23)
InChIKeyJHKSFWJRDVQASZ-UHFFFAOYSA-N
XLogP3.61
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 56800037
N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 49286927
1-[(5-cyano-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122078336
(5-cyano-2-methoxyphenyl)carbamic acid
CID 91205767
N-(5-cyano-2-methoxyphenyl)-4-methylazepane-1-carboxamide
CID 49286681
N-(5-cyano-2-methoxyphenyl)pyridine-4-carboxamide
CID 49183025
(1R,8S)-N-[(2,4,6-trimethoxyphenyl)methyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 95237359
(1S,5R)-3-(cyclobutanecarbonyl)-N-(2-methoxy-5-methylphenyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 72893887
1-(2-chloro-4-morpholin-2-ylphenyl)-3-(5-cyano-2-methoxyphenyl)urea
CID 71086858
1-(3-cyanophenyl)-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191935
1-[[5-cyano-2-(difluoromethoxy)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102316
N-(5-cyano-2-methoxyphenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 49183275

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The IUPAC name of N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (CID 49286489) is N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The canonical SMILES for N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is COc1ccc(C#N)cc1NC(=O)N1CC2CC3CC(C2)CC1C3.
What is the InChIKey of N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The InChIKey is JHKSFWJRDVQASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-18-3-2-12(10-20)9-17(18)21-19(23)22-11-15-5-13-4-14(6-15)8-16(22)7-13/h2-3,9,13-16H,4-8,11H2,1H3,(H,21,23).
What are the key properties of N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methoxyphenyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is sourced from PubChem (CID 49286489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).