5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride

C13H20BrCl2N3O — CID 119531290

IUPAC5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1ccc(Br)cn1)C1CCNC1.Cl.Cl
InChIInChI=1S/C13H18BrN3O.2ClH/c1-2-7-17(11-5-6-15-9-11)13(18)12-4-3-10(14)8-16-12;;/h3-4,8,11,15H,2,5-7,9H2,1H3;2*1H
InChIKeySCRKVEUQNAHBSE-UHFFFAOYSA-N
MW385.13 g/mol
LogP2.90
Rot. Bonds4

About 5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride

5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride (PubChem CID 119531290) has the molecular formula C13H20BrCl2N3O and a molecular weight of 385.13 g/mol. Its IUPAC name is 5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
PubChem CID119531290
Molecular FormulaC13H20BrCl2N3O
Molecular Weight385.13 g/mol
Exact Mass383.02
IUPAC Name5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1ccc(Br)cn1)C1CCNC1.Cl.Cl
InChIInChI=1S/C13H18BrN3O.2ClH/c1-2-7-17(11-5-6-15-9-11)13(18)12-4-3-10(14)8-16-12;;/h3-4,8,11,15H,2,5-7,9H2,1H3;2*1H
InChIKeySCRKVEUQNAHBSE-UHFFFAOYSA-N
XLogP2.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.13
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737122
N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide
CID 79112080
N-propyl-N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 103806535
5-fluoro-N-piperidin-3-yl-N-propylpyridine-2-carboxamide
CID 104639262
5-cyano-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 63724074
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
4-bromo-N-[3-oxo-3-[propyl(pyrrolidin-3-yl)amino]propyl]benzamide;hydrochloride
CID 119532455
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533138
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride (CID 119531290) is 5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride is CCCN(C(=O)c1ccc(Br)cn1)C1CCNC1.Cl.Cl.
What is the InChIKey of 5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride?
The InChIKey is SCRKVEUQNAHBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O.2ClH/c1-2-7-17(11-5-6-15-9-11)13(18)12-4-3-10(14)8-16-12;;/h3-4,8,11,15H,2,5-7,9H2,1H3;2*1H.
What are the key properties of 5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride?
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride has a molecular weight of 385.13 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119531290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).