N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride

C16H21Cl2N3O2 — CID 119429876

IUPACN-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
SMILESCNCCCNC(=O)c1cccc(Oc2ccncc2)c1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-17-8-3-9-19-16(20)13-4-2-5-15(12-13)21-14-6-10-18-11-7-14;;/h2,4-7,10-12,17H,3,8-9H2,1H3,(H,19,20);2*1H
InChIKeyIEGSLUARVXBLEH-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.06
Rot. Bonds7

About N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride

N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride (PubChem CID 119429876) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
PubChem CID119429876
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC NameN-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
SMILESCNCCCNC(=O)c1cccc(Oc2ccncc2)c1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-17-8-3-9-19-16(20)13-4-2-5-15(12-13)21-14-6-10-18-11-7-14;;/h2,4-7,10-12,17H,3,8-9H2,1H3,(H,19,20);2*1H
InChIKeyIEGSLUARVXBLEH-UHFFFAOYSA-N
XLogP3.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.06
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

N-[4-oxo-4-(3-pyridin-4-yloxyphenyl)butyl]-4-pentoxybenzamide
CID 143062081
N-(2-amino-2-ethylbutyl)-3-pyridin-4-yloxybenzamide
CID 119640034
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide
CID 111433205
3-bromo-N-[3-[(4-pyridin-3-yloxybenzoyl)amino]propyl]benzamide
CID 60622603
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 120887333
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
methyl 7-[(3-phenoxybenzoyl)amino]heptanoate
CID 36622065
methyl 6-[(3-phenoxybenzoyl)amino]hexanoate
CID 31839416
N-[1-(aminomethyl)cyclopentyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119565137
N-[2-(2-methoxyphenyl)-2-oxoethyl]-3-pyridin-4-yloxybenzamide
CID 167964840

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride (CID 119429876) is N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride is CNCCCNC(=O)c1cccc(Oc2ccncc2)c1.Cl.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride?
The InChIKey is IEGSLUARVXBLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.2ClH/c1-17-8-3-9-19-16(20)13-4-2-5-15(12-13)21-14-6-10-18-11-7-14;;/h2,4-7,10-12,17H,3,8-9H2,1H3,(H,19,20);2*1H.
What are the key properties of N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride?
N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 3.06, 7 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-pyridin-4-yloxybenzamide;dihydrochloride is sourced from PubChem (CID 119429876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).