2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid

C23H27N3O2 — CID 155965630

IUPAC2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CC23CCCCC2(CN(Cc2ccccc2)C3)C1
InChIInChI=1S/C23H27N3O2/c27-21(28)19-9-6-12-24-20(19)26-16-22-10-4-5-11-23(22,17-26)15-25(14-22)13-18-7-2-1-3-8-18/h1-3,6-9,12H,4-5,10-11,13-17H2,(H,27,28)
InChIKeyHNZPBCIMPTUHMU-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.66
Rot. Bonds4

About 2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid

2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid (PubChem CID 155965630) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid
PubChem CID155965630
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CC23CCCCC2(CN(Cc2ccccc2)C3)C1
InChIInChI=1S/C23H27N3O2/c27-21(28)19-9-6-12-24-20(19)26-16-22-10-4-5-11-23(22,17-26)15-25(14-22)13-18-7-2-1-3-8-18/h1-3,6-9,12H,4-5,10-11,13-17H2,(H,27,28)
InChIKeyHNZPBCIMPTUHMU-UHFFFAOYSA-N
XLogP3.66
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

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CID 18536294
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CID 18536272
2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397212
2-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 95228465
2-[4-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 141306618
2-[2-(naphthalen-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridine-3-carboxylic acid
CID 66876216
2-[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 141306651
2-[(3S)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 97124499
2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945
2-[4-(3-phenylpropylsulfonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397252
6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile
CID 167848964

Frequently Asked Questions

What is the IUPAC name of 2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid (CID 155965630) is 2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CC23CCCCC2(CN(Cc2ccccc2)C3)C1.
What is the InChIKey of 2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid?
The InChIKey is HNZPBCIMPTUHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-21(28)19-9-6-12-24-20(19)26-16-22-10-4-5-11-23(22,17-26)15-25(14-22)13-18-7-2-1-3-8-18/h1-3,6-9,12H,4-5,10-11,13-17H2,(H,27,28).
What are the key properties of 2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid?
2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid has a molecular weight of 377.49 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 155965630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).