N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride

C18H25Cl2N3O2 — CID 119522184

IUPACN-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
SMILESCc1ccc(OCc2cccc(C(=O)NC(C)(C)CN)c2)cn1.Cl.Cl
InChIInChI=1S/C18H23N3O2.2ClH/c1-13-7-8-16(10-20-13)23-11-14-5-4-6-15(9-14)17(22)21-18(2,3)12-19;;/h4-10H,11-12,19H2,1-3H3,(H,21,22);2*1H
InChIKeyNPPQSDNHYOZADW-UHFFFAOYSA-N
MW386.32 g/mol
LogP3.28
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride

N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride (PubChem CID 119522184) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
PubChem CID119522184
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
SMILESCc1ccc(OCc2cccc(C(=O)NC(C)(C)CN)c2)cn1.Cl.Cl
InChIInChI=1S/C18H23N3O2.2ClH/c1-13-7-8-16(10-20-13)23-11-14-5-4-6-15(9-14)17(22)21-18(2,3)12-19;;/h4-10H,11-12,19H2,1-3H3,(H,21,22);2*1H
InChIKeyNPPQSDNHYOZADW-UHFFFAOYSA-N
XLogP3.28
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119430510
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide
CID 119521607
1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid
CID 120530535
N-(2-amino-1-cyclohexylethyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119589690
N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 111447845
(2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid
CID 119360777
3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]butanoic acid
CID 120537130
N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride
CID 119523789
N-(1-amino-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide;hydrochloride
CID 119522848
3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid
CID 120535893
2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62440301
tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate
CID 75393116

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride (CID 119522184) is N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride is Cc1ccc(OCc2cccc(C(=O)NC(C)(C)CN)c2)cn1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride?
The InChIKey is NPPQSDNHYOZADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.2ClH/c1-13-7-8-16(10-20-13)23-11-14-5-4-6-15(9-14)17(22)21-18(2,3)12-19;;/h4-10H,11-12,19H2,1-3H3,(H,21,22);2*1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride?
N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride has a molecular weight of 386.32 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119522184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).