N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride

C16H21Cl2N3O2 — CID 119995380

IUPACN-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride
SMILESCC(CN)CNC(=O)c1ccc(Oc2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-12(9-17)10-19-16(20)13-4-6-14(7-5-13)21-15-3-2-8-18-11-15;;/h2-8,11-12H,9-10,17H2,1H3,(H,19,20);2*1H
InChIKeyNCAXYFLCOFFKEZ-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.04
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride

N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride (PubChem CID 119995380) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride
PubChem CID119995380
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC NameN-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride
SMILESCC(CN)CNC(=O)c1ccc(Oc2cccnc2)cc1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-12(9-17)10-19-16(20)13-4-6-14(7-5-13)21-15-3-2-8-18-11-15;;/h2-8,11-12H,9-10,17H2,1H3,(H,19,20);2*1H
InChIKeyNCAXYFLCOFFKEZ-UHFFFAOYSA-N
XLogP3.04
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
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N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
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N-(3-amino-2-methylpropyl)-4-propylbenzamide;hydrochloride
CID 119995304
4-pyridin-3-yloxybenzoic acid
CID 22261667
ethyl 3-methyl-4-oxo-4-(4-pyridin-3-yloxyphenyl)butanoate
CID 14798053
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride (CID 119995380) is N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride is CC(CN)CNC(=O)c1ccc(Oc2cccnc2)cc1.Cl.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride?
The InChIKey is NCAXYFLCOFFKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.2ClH/c1-12(9-17)10-19-16(20)13-4-6-14(7-5-13)21-15-3-2-8-18-11-15;;/h2-8,11-12H,9-10,17H2,1H3,(H,19,20);2*1H.
What are the key properties of N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride?
N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-4-pyridin-3-yloxybenzamide;dihydrochloride is sourced from PubChem (CID 119995380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).