1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate

C21H22N2O2 — CID 25050141

IUPAC1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate
SMILESO=C(OC1C2CC3CC1CN(C3)C2)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C21H22N2O2/c24-21(16-6-7-19(22-10-16)15-4-2-1-3-5-15)25-20-17-8-14-9-18(20)13-23(11-14)12-17/h1-7,10,14,17-18,20H,8-9,11-13H2
InChIKeyPDRVBZVFFXZXTF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.25
Rot. Bonds3

About 1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate

1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate (PubChem CID 25050141) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Name1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate
PubChem CID25050141
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate
SMILESO=C(OC1C2CC3CC1CN(C3)C2)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C21H22N2O2/c24-21(16-6-7-19(22-10-16)15-4-2-1-3-5-15)25-20-17-8-14-9-18(20)13-23(11-14)12-17/h1-7,10,14,17-18,20H,8-9,11-13H2
InChIKeyPDRVBZVFFXZXTF-UHFFFAOYSA-N
XLogP3.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate 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

Diethyl 2,6-dimethyl-2',4-bipyridine-3,5-dicarboxylate
CID 1070616
Nicotinic acid, 1-adamantylmethyl ester
CID 64198
Nicotinic acid, 2-(1-adamantyl)ethyl ester
CID 64458
Diethyl [2,2'-bipyridine]-4,4'-dicarboxylate
CID 12088573
Methyl 6-phenylnicotinate
CID 13129505
[2-(1-Adamantyl)-2-oxoethyl] pyridine-3-carboxylate
CID 4091565
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] quinoline-3-carboxylate
CID 9971799
1-azabicyclo[2.2.2]octan-3-yl (3E)-3-(pyridin-2-ylmethylidene)indene-1-carboxylate
CID 10043954
Quinoline-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44371763
[4-(Dimethylamino)-6,7-diphenyl-2-bicyclo[2.2.2]octanyl] pyridine-3-carboxylate
CID 44593393
(6,7-Diphenyl-4-piperidin-1-yl-2-bicyclo[2.2.2]octanyl) pyridine-3-carboxylate
CID 44593395
Nicotinic acid, alpha-phenylbenzyl ester
CID 59073

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate?
The IUPAC name of 1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate (CID 25050141) is 1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate.
What is the SMILES notation for 1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate?
The canonical SMILES for 1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate is O=C(OC1C2CC3CC1CN(C3)C2)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate?
The InChIKey is PDRVBZVFFXZXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-21(16-6-7-19(22-10-16)15-4-2-1-3-5-15)25-20-17-8-14-9-18(20)13-23(11-14)12-17/h1-7,10,14,17-18,20H,8-9,11-13H2.
What are the key properties of 1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate?
1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[3.3.1.13,7]decan-4-yl 6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 25050141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).