6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

C17H20BrCl2N3O2 — CID 119388966

IUPAC6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNCC1)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C17H18BrN3O2.2ClH/c18-13-2-1-3-15(10-13)23-16-5-4-12(11-20-16)17(22)21-14-6-8-19-9-7-14;;/h1-5,10-11,14,19H,6-9H2,(H,21,22);2*1H
InChIKeyNITCTBDEIVNLEM-UHFFFAOYSA-N
MW449.18 g/mol
LogP3.96
Rot. Bonds4

About 6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 119388966) has the molecular formula C17H20BrCl2N3O2 and a molecular weight of 449.18 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID119388966
Molecular FormulaC17H20BrCl2N3O2
Molecular Weight449.18 g/mol
Exact Mass447.01
IUPAC Name6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNCC1)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C17H18BrN3O2.2ClH/c18-13-2-1-3-15(10-13)23-16-5-4-12(11-20-16)17(22)21-14-6-8-19-9-7-14;;/h1-5,10-11,14,19H,6-9H2,(H,21,22);2*1H
InChIKeyNITCTBDEIVNLEM-UHFFFAOYSA-N
XLogP3.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.18
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119427629
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427630
6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46486838
6-(3-bromophenoxy)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 55814280
6-(3-bromophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119513174
6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119387481
6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 55946355
N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119388069
6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide
CID 55806412
[6-(3-bromophenoxy)-3-pyridinyl]-(1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119417259
N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119574786
N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 119474511

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (CID 119388966) is 6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCNCC1)c1ccc(Oc2cccc(Br)c2)nc1.
What is the InChIKey of 6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is NITCTBDEIVNLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2.2ClH/c18-13-2-1-3-15(10-13)23-16-5-4-12(11-20-16)17(22)21-14-6-8-19-9-7-14;;/h1-5,10-11,14,19H,6-9H2,(H,21,22);2*1H.
What are the key properties of 6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 449.18 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119388966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).