N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride

C18H22BrCl2N3O2 — CID 119574786

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
SMILESCC(CN)(NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)C1CC1.Cl.Cl
InChIInChI=1S/C18H20BrN3O2.2ClH/c1-18(11-20,13-6-7-13)22-17(23)12-5-8-16(21-10-12)24-15-4-2-3-14(19)9-15;;/h2-5,8-10,13H,6-7,11,20H2,1H3,(H,22,23);2*1H
InChIKeyDEPDFFTXTZKUSP-UHFFFAOYSA-N
MW463.20 g/mol
LogP4.34
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119574786) has the molecular formula C18H22BrCl2N3O2 and a molecular weight of 463.20 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
PubChem CID119574786
Molecular FormulaC18H22BrCl2N3O2
Molecular Weight463.20 g/mol
Exact Mass461.03
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
SMILESCC(CN)(NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)C1CC1.Cl.Cl
InChIInChI=1S/C18H20BrN3O2.2ClH/c1-18(11-20,13-6-7-13)22-17(23)12-5-8-16(21-10-12)24-15-4-2-3-14(19)9-15;;/h2-5,8-10,13H,6-7,11,20H2,1H3,(H,22,23);2*1H
InChIKeyDEPDFFTXTZKUSP-UHFFFAOYSA-N
XLogP4.34
TPSA77.24 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 ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)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

N-(1-amino-2-cyclopropylpropan-2-yl)-6-methylpyridine-3-carboxamide
CID 81487644
6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119388966
N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide
CID 119575372
N-(1-amino-2-cyclopropylpropan-2-yl)-3-pyridin-4-yloxybenzamide
CID 119572563
6-(3-bromophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119513174
6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 78887929
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119427629
6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide
CID 55806412
N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide
CID 81487028
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427630
N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride
CID 119573907

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride (CID 119574786) is N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride is CC(CN)(NC(=O)c1ccc(Oc2cccc(Br)c2)nc1)C1CC1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is DEPDFFTXTZKUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2.2ClH/c1-18(11-20,13-6-7-13)22-17(23)12-5-8-16(21-10-12)24-15-4-2-3-14(19)9-15;;/h2-5,8-10,13H,6-7,11,20H2,1H3,(H,22,23);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 463.20 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119574786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).