azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

C14H22N4O — CID 79354450

IUPACazocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
SMILESO=C(C1Cc2nc[nH]c2CN1)N1CCCCCCC1
InChIInChI=1S/C14H22N4O/c19-14(18-6-4-2-1-3-5-7-18)12-8-11-13(9-15-12)17-10-16-11/h10,12,15H,1-9H2,(H,16,17)
InChIKeyOIIHNUXXEJWQTR-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.22
Rot. Bonds1

About azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (PubChem CID 79354450) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
PubChem CID79354450
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Nameazocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
SMILESO=C(C1Cc2nc[nH]c2CN1)N1CCCCCCC1
InChIInChI=1S/C14H22N4O/c19-14(18-6-4-2-1-3-5-7-18)12-8-11-13(9-15-12)17-10-16-11/h10,12,15H,1-9H2,(H,16,17)
InChIKeyOIIHNUXXEJWQTR-UHFFFAOYSA-N
XLogP1.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-1,4-diazepan-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79354236
1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid
CID 79354470
(4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79352607
(3-methylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79354184
(3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 107219364
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 79352116
1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid
CID 79354679
(3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 107219635
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79352883
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 82752465
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352452
[2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 81202754

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The IUPAC name of azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (CID 79354450) is azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.
What is the SMILES notation for azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The canonical SMILES for azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is O=C(C1Cc2nc[nH]c2CN1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The InChIKey is OIIHNUXXEJWQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14(18-6-4-2-1-3-5-7-18)12-8-11-13(9-15-12)17-10-16-11/h10,12,15H,1-9H2,(H,16,17).
What are the key properties of azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is sourced from PubChem (CID 79354450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).