N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride

C11H16BrCl2N3O — CID 119614994

IUPACN-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1ccc(Br)cn1)C1CC1
InChIInChI=1S/C11H14BrN3O.2ClH/c12-8-3-4-9(14-6-8)11(16)15-10(5-13)7-1-2-7;;/h3-4,6-7,10H,1-2,5,13H2,(H,15,16);2*1H
InChIKeyKVZQEXZFJCXRKQ-UHFFFAOYSA-N
MW357.08 g/mol
LogP2.15
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride (PubChem CID 119614994) has the molecular formula C11H16BrCl2N3O and a molecular weight of 357.08 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride
PubChem CID119614994
Molecular FormulaC11H16BrCl2N3O
Molecular Weight357.08 g/mol
Exact Mass354.99
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCC(NC(=O)c1ccc(Br)cn1)C1CC1
InChIInChI=1S/C11H14BrN3O.2ClH/c12-8-3-4-9(14-6-8)11(16)15-10(5-13)7-1-2-7;;/h3-4,6-7,10H,1-2,5,13H2,(H,15,16);2*1H
InChIKeyKVZQEXZFJCXRKQ-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.08
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119617299
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CID 107973326
N-(2-amino-1-cyclopropylethyl)-3-bromofuran-2-carboxamide;hydrochloride
CID 119615808
N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride
CID 119573907
N-(2-amino-1-cyclopropylethyl)-5-chlorothiophene-2-carboxamide;hydrochloride
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N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide
CID 119617805
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CID 63837989

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride (CID 119614994) is N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride is Cl.Cl.NCC(NC(=O)c1ccc(Br)cn1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride?
The InChIKey is KVZQEXZFJCXRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O.2ClH/c12-8-3-4-9(14-6-8)11(16)15-10(5-13)7-1-2-7;;/h3-4,6-7,10H,1-2,5,13H2,(H,15,16);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride has a molecular weight of 357.08 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119614994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).