N-pyridin-4-ylazocane-2-carboxamide

C13H19N3O — CID 114240041

IUPACN-pyridin-4-ylazocane-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCCCCN1
InChIInChI=1S/C13H19N3O/c17-13(16-11-6-9-14-10-7-11)12-5-3-1-2-4-8-15-12/h6-7,9-10,12,15H,1-5,8H2,(H,14,16,17)
InChIKeyVGOONODUGAEPKU-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.94
Rot. Bonds2

About N-pyridin-4-ylazocane-2-carboxamide

N-pyridin-4-ylazocane-2-carboxamide (PubChem CID 114240041) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-pyridin-4-ylazocane-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-ylazocane-2-carboxamide
PubChem CID114240041
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-pyridin-4-ylazocane-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCCCCN1
InChIInChI=1S/C13H19N3O/c17-13(16-11-6-9-14-10-7-11)12-5-3-1-2-4-8-15-12/h6-7,9-10,12,15H,1-5,8H2,(H,14,16,17)
InChIKeyVGOONODUGAEPKU-UHFFFAOYSA-N
XLogP1.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
N-pyridin-4-ylazetidine-2-carboxamide
CID 130908968
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
(2R)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
CID 103809385
(2S)-N-[4-(triazol-2-yl)phenyl]piperidine-2-carboxamide
CID 103809386
N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 54862032
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
N-(4-pyrrolidin-1-ylphenyl)azepane-2-carboxamide
CID 64562834

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-ylazocane-2-carboxamide?
The IUPAC name of N-pyridin-4-ylazocane-2-carboxamide (CID 114240041) is N-pyridin-4-ylazocane-2-carboxamide.
What is the SMILES notation for N-pyridin-4-ylazocane-2-carboxamide?
The canonical SMILES for N-pyridin-4-ylazocane-2-carboxamide is O=C(Nc1ccncc1)C1CCCCCCN1.
What is the InChIKey of N-pyridin-4-ylazocane-2-carboxamide?
The InChIKey is VGOONODUGAEPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13(16-11-6-9-14-10-7-11)12-5-3-1-2-4-8-15-12/h6-7,9-10,12,15H,1-5,8H2,(H,14,16,17).
What are the key properties of N-pyridin-4-ylazocane-2-carboxamide?
N-pyridin-4-ylazocane-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-ylazocane-2-carboxamide is sourced from PubChem (CID 114240041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).