N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride

C16H22Cl2N4O2 — CID 86813884

IUPACN-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride
SMILESCCCC(N)CNC(=O)c1cccc(Oc2cnccn2)c1.Cl.Cl
InChIInChI=1S/C16H20N4O2.2ClH/c1-2-4-13(17)10-20-16(21)12-5-3-6-14(9-12)22-15-11-18-7-8-19-15;;/h3,5-9,11,13H,2,4,10,17H2,1H3,(H,20,21);2*1H
InChIKeyAVCORKAAMIJMAS-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.97
Rot. Bonds7

About N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride

N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride (PubChem CID 86813884) has the molecular formula C16H22Cl2N4O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride
PubChem CID86813884
Molecular FormulaC16H22Cl2N4O2
Molecular Weight373.28 g/mol
Exact Mass372.11
IUPAC NameN-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride
SMILESCCCC(N)CNC(=O)c1cccc(Oc2cnccn2)c1.Cl.Cl
InChIInChI=1S/C16H20N4O2.2ClH/c1-2-4-13(17)10-20-16(21)12-5-3-6-14(9-12)22-15-11-18-7-8-19-15;;/h3,5-9,11,13H,2,4,10,17H2,1H3,(H,20,21);2*1H
InChIKeyAVCORKAAMIJMAS-UHFFFAOYSA-N
XLogP2.97
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide
CID 86813885
N-(2-amino-2-methylpropyl)-3-pyrazin-2-yloxybenzamide
CID 119628152
N-[2-(ethylamino)ethyl]-3-pyrazin-2-yloxybenzamide
CID 119506992
N-(1-amino-2,3-dimethylbutan-2-yl)-3-pyrazin-2-yloxybenzamide
CID 119607218
4-methoxy-2-[(3-pyrazin-2-yloxybenzoyl)amino]butanoic acid
CID 120703222
N-(2-aminopentyl)pyridine-4-carboxamide
CID 115737712
N-hexyl-3-pyridin-2-yloxybenzamide
CID 90596510
N-octyl-3-pyridin-2-yloxybenzamide
CID 90596511
N-(2-aminopentyl)-3,5-dimethoxybenzamide
CID 115737673
N-(2-bromopentyl)-3-propoxybenzamide
CID 113496505
N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119388069
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyrazin-2-yloxybenzamide
CID 126767088

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride?
The IUPAC name of N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride (CID 86813884) is N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride.
What is the SMILES notation for N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride?
The canonical SMILES for N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride is CCCC(N)CNC(=O)c1cccc(Oc2cnccn2)c1.Cl.Cl.
What is the InChIKey of N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride?
The InChIKey is AVCORKAAMIJMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.2ClH/c1-2-4-13(17)10-20-16(21)12-5-3-6-14(9-12)22-15-11-18-7-8-19-15;;/h3,5-9,11,13H,2,4,10,17H2,1H3,(H,20,21);2*1H.
What are the key properties of N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride?
N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride has a molecular weight of 373.28 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopentyl)-3-pyrazin-2-yloxybenzamide;dihydrochloride is sourced from PubChem (CID 86813884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).