2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride

C18H22BrCl2N3O2 — CID 119534807

IUPAC2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCNC1)c1cccnc1Oc1ccc(Br)cc1
InChIInChI=1S/C18H20BrN3O2.2ClH/c19-14-3-5-15(6-4-14)24-18-16(2-1-9-22-18)17(23)21-11-8-13-7-10-20-12-13;;/h1-6,9,13,20H,7-8,10-12H2,(H,21,23);2*1H
InChIKeyPXKLNZWVKGDKNT-UHFFFAOYSA-N
MW463.20 g/mol
LogP4.21
Rot. Bonds6

About 2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride

2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119534807) has the molecular formula C18H22BrCl2N3O2 and a molecular weight of 463.20 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119534807
Molecular FormulaC18H22BrCl2N3O2
Molecular Weight463.20 g/mol
Exact Mass461.03
IUPAC Name2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCC1CCNC1)c1cccnc1Oc1ccc(Br)cc1
InChIInChI=1S/C18H20BrN3O2.2ClH/c19-14-3-5-15(6-4-14)24-18-16(2-1-9-22-18)17(23)21-11-8-13-7-10-20-12-13;;/h1-6,9,13,20H,7-8,10-12H2,(H,21,23);2*1H
InChIKeyPXKLNZWVKGDKNT-UHFFFAOYSA-N
XLogP4.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.20
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535955
4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630406
2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537859
N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
CID 81478211
2-(4-bromophenoxy)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pyridine-3-carboxamide
CID 52588094
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
1-hydroxy-N-(2-pyrrolidin-3-ylethyl)naphthalene-2-carboxamide
CID 63622131
2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119536966
2-pyridin-2-yl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630243
3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796523
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride (CID 119534807) is 2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCC1CCNC1)c1cccnc1Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is PXKLNZWVKGDKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2.2ClH/c19-14-3-5-15(6-4-14)24-18-16(2-1-9-22-18)17(23)21-11-8-13-7-10-20-12-13;;/h1-6,9,13,20H,7-8,10-12H2,(H,21,23);2*1H.
What are the key properties of 2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride?
2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 463.20 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119534807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).