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

C12H18BrCl2N3O — CID 119573907

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride
SMILESCC(CN)(NC(=O)c1ccc(Br)cn1)C1CC1.Cl.Cl
InChIInChI=1S/C12H16BrN3O.2ClH/c1-12(7-14,8-2-3-8)16-11(17)10-5-4-9(13)6-15-10;;/h4-6,8H,2-3,7,14H2,1H3,(H,16,17);2*1H
InChIKeyNRRXMLHRQOTUKH-UHFFFAOYSA-N
MW371.11 g/mol
LogP2.54
Rot. Bonds4

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

N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride (PubChem CID 119573907) has the molecular formula C12H18BrCl2N3O and a molecular weight of 371.11 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride
PubChem CID119573907
Molecular FormulaC12H18BrCl2N3O
Molecular Weight371.11 g/mol
Exact Mass369.00
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride
SMILESCC(CN)(NC(=O)c1ccc(Br)cn1)C1CC1.Cl.Cl
InChIInChI=1S/C12H16BrN3O.2ClH/c1-12(7-14,8-2-3-8)16-11(17)10-5-4-9(13)6-15-10;;/h4-6,8H,2-3,7,14H2,1H3,(H,16,17);2*1H
InChIKeyNRRXMLHRQOTUKH-UHFFFAOYSA-N
XLogP2.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.11
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide
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5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride (CID 119573907) is N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride is CC(CN)(NC(=O)c1ccc(Br)cn1)C1CC1.Cl.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride?
The InChIKey is NRRXMLHRQOTUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O.2ClH/c1-12(7-14,8-2-3-8)16-11(17)10-5-4-9(13)6-15-10;;/h4-6,8H,2-3,7,14H2,1H3,(H,16,17);2*1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride has a molecular weight of 371.11 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119573907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).