6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

C17H19Cl4N3O2 — CID 119387481

IUPAC6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNCC1)c1ccc(Oc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C17H17Cl2N3O2.2ClH/c18-13-2-1-3-14(16(13)19)24-15-5-4-11(10-21-15)17(23)22-12-6-8-20-9-7-12;;/h1-5,10,12,20H,6-9H2,(H,22,23);2*1H
InChIKeyONRFSPZGTQFFHQ-UHFFFAOYSA-N
MW439.17 g/mol
LogP4.51
Rot. Bonds4

About 6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 119387481) has the molecular formula C17H19Cl4N3O2 and a molecular weight of 439.17 g/mol. Its IUPAC name is 6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID119387481
Molecular FormulaC17H19Cl4N3O2
Molecular Weight439.17 g/mol
Exact Mass437.02
IUPAC Name6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNCC1)c1ccc(Oc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C17H17Cl2N3O2.2ClH/c18-13-2-1-3-14(16(13)19)24-15-5-4-11(10-21-15)17(23)22-12-6-8-20-9-7-12;;/h1-5,10,12,20H,6-9H2,(H,22,23);2*1H
InChIKeyONRFSPZGTQFFHQ-UHFFFAOYSA-N
XLogP4.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.17
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119388966
N-(2-amino-1-cyclopropylethyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide
CID 119614592
N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119388337
6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 119431195
N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide
CID 99586512
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[6-(2,3-dichlorophenoxy)-3-pyridinyl]methanone
CID 120657843
6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride
CID 120831593
[6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119544234
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119427629
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427630
N-piperidin-4-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119386740
N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119388069

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (CID 119387481) is 6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCNCC1)c1ccc(Oc2cccc(Cl)c2Cl)nc1.
What is the InChIKey of 6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is ONRFSPZGTQFFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2.2ClH/c18-13-2-1-3-14(16(13)19)24-15-5-4-11(10-21-15)17(23)22-12-6-8-20-9-7-12;;/h1-5,10,12,20H,6-9H2,(H,22,23);2*1H.
What are the key properties of 6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 439.17 g/mol, XLogP of 4.51, 4 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-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119387481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).