6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride

C16H19Cl4N3O2 — CID 120831593

IUPAC6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1.Cl.Cl
InChIInChI=1S/C16H17Cl2N3O2.2ClH/c1-10(19-2)8-21-16(22)11-6-7-14(20-9-11)23-13-5-3-4-12(17)15(13)18;;/h3-7,9-10,19H,8H2,1-2H3,(H,21,22);2*1H
InChIKeySUQOMNPPGAJXOJ-UHFFFAOYSA-N
MW427.16 g/mol
LogP4.36
Rot. Bonds6

About 6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride

6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 120831593) has the molecular formula C16H19Cl4N3O2 and a molecular weight of 427.16 g/mol. Its IUPAC name is 6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID120831593
Molecular FormulaC16H19Cl4N3O2
Molecular Weight427.16 g/mol
Exact Mass425.02
IUPAC Name6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride
SMILESCNC(C)CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1.Cl.Cl
InChIInChI=1S/C16H17Cl2N3O2.2ClH/c1-10(19-2)8-21-16(22)11-6-7-14(20-9-11)23-13-5-3-4-12(17)15(13)18;;/h3-7,9-10,19H,8H2,1-2H3,(H,21,22);2*1H
InChIKeySUQOMNPPGAJXOJ-UHFFFAOYSA-N
XLogP4.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.16
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 119431195
N-(2-amino-1-cyclopropylethyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide
CID 119614592
2-chloro-6-methoxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830304
6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119387481
N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide
CID 99586512
[6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119544234
6-(dimethylamino)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120828209
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828729
2-(2,6-dichlorophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120833103
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252
6-[ethyl(propan-2-yl)amino]-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120831653

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride (CID 120831593) is 6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride is CNC(C)CNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1.Cl.Cl.
What is the InChIKey of 6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is SUQOMNPPGAJXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2.2ClH/c1-10(19-2)8-21-16(22)11-6-7-14(20-9-11)23-13-5-3-4-12(17)15(13)18;;/h3-7,9-10,19H,8H2,1-2H3,(H,21,22);2*1H.
What are the key properties of 6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride?
6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 427.16 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120831593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).