N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride

C18H25Cl2N3O2 — CID 119430510

IUPACN-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
SMILESCNCCCNC(=O)c1cccc(COc2ccc(C)nc2)c1.Cl.Cl
InChIInChI=1S/C18H23N3O2.2ClH/c1-14-7-8-17(12-21-14)23-13-15-5-3-6-16(11-15)18(22)20-10-4-9-19-2;;/h3,5-8,11-12,19H,4,9-10,13H2,1-2H3,(H,20,22);2*1H
InChIKeyMLBQVESNYAWGBR-UHFFFAOYSA-N
MW386.32 g/mol
LogP3.15
Rot. Bonds8

About N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride

N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride (PubChem CID 119430510) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
PubChem CID119430510
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC NameN-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
SMILESCNCCCNC(=O)c1cccc(COc2ccc(C)nc2)c1.Cl.Cl
InChIInChI=1S/C18H23N3O2.2ClH/c1-14-7-8-17(12-21-14)23-13-15-5-3-6-16(11-15)18(22)20-10-4-9-19-2;;/h3,5-8,11-12,19H,4,9-10,13H2,1-2H3,(H,20,22);2*1H
InChIKeyMLBQVESNYAWGBR-UHFFFAOYSA-N
XLogP3.15
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid
CID 120530535
N-(4-hydroxy-2-methylpentyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 111447845
3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]butanoic acid
CID 120537130
N-(1-amino-2-methylpropan-2-yl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119522184
(2S)-4-methyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]pentanoic acid
CID 119360777
3-cyclopropyl-2-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]propanoic acid
CID 120535893
N-(2-amino-1-cyclohexylethyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119589690
N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
CID 6498652
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 86950753
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 139012938
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
3-[(4-tert-butylphenoxy)methyl]-N-[3-(dimethylamino)propyl]benzamide
CID 19578403

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride (CID 119430510) is N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride is CNCCCNC(=O)c1cccc(COc2ccc(C)nc2)c1.Cl.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride?
The InChIKey is MLBQVESNYAWGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.2ClH/c1-14-7-8-17(12-21-14)23-13-15-5-3-6-16(11-15)18(22)20-10-4-9-19-2;;/h3,5-8,11-12,19H,4,9-10,13H2,1-2H3,(H,20,22);2*1H.
What are the key properties of N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride?
N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride has a molecular weight of 386.32 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119430510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).