N-(pyridin-2-ylmethyl)azocane-2-carboxamide

C14H21N3O — CID 114240037

IUPACN-(pyridin-2-ylmethyl)azocane-2-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCCCCN1
InChIInChI=1S/C14H21N3O/c18-14(13-8-3-1-2-5-10-16-13)17-11-12-7-4-6-9-15-12/h4,6-7,9,13,16H,1-3,5,8,10-11H2,(H,17,18)
InChIKeyYSQXFJLDUNTKRA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.62
Rot. Bonds3

About N-(pyridin-2-ylmethyl)azocane-2-carboxamide

N-(pyridin-2-ylmethyl)azocane-2-carboxamide (PubChem CID 114240037) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)azocane-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)azocane-2-carboxamide
PubChem CID114240037
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(pyridin-2-ylmethyl)azocane-2-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCCCCN1
InChIInChI=1S/C14H21N3O/c18-14(13-8-3-1-2-5-10-16-13)17-11-12-7-4-6-9-15-12/h4,6-7,9,13,16H,1-3,5,8,10-11H2,(H,17,18)
InChIKeyYSQXFJLDUNTKRA-UHFFFAOYSA-N
XLogP1.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(pyridin-2-ylmethyl)azocane-2-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-(quinolin-8-ylmethyl)azepane-2-carboxamide
CID 81427479
(2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 53300637
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
(2S)-N-pyridin-2-ylpiperidine-2-carboxamide
CID 103813189
4-hydroxy-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 43120836
N-(1,2-oxazol-3-ylmethyl)piperidine-2-carboxamide
CID 81170885
N-[(1-methylpyrazol-3-yl)methyl]azepane-2-carboxamide
CID 82873870
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate
CID 6949299
5-oxo-N-(pyridin-2-ylmethyl)-1,4-thiazepane-3-carboxamide
CID 71798018
(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
CID 103808102

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)azocane-2-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)azocane-2-carboxamide (CID 114240037) is N-(pyridin-2-ylmethyl)azocane-2-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)azocane-2-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)azocane-2-carboxamide is O=C(NCc1ccccn1)C1CCCCCCN1.
What is the InChIKey of N-(pyridin-2-ylmethyl)azocane-2-carboxamide?
The InChIKey is YSQXFJLDUNTKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(13-8-3-1-2-5-10-16-13)17-11-12-7-4-6-9-15-12/h4,6-7,9,13,16H,1-3,5,8,10-11H2,(H,17,18).
What are the key properties of N-(pyridin-2-ylmethyl)azocane-2-carboxamide?
N-(pyridin-2-ylmethyl)azocane-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)azocane-2-carboxamide is sourced from PubChem (CID 114240037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).