N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride

C13H23Cl2N3O — CID 119641996

IUPACN-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(C)nc1.Cl.Cl
InChIInChI=1S/C13H21N3O.2ClH/c1-4-13(14,5-2)9-16-12(17)11-7-6-10(3)15-8-11;;/h6-8H,4-5,9,14H2,1-3H3,(H,16,17);2*1H
InChIKeyLJEBHLXGMOKAII-UHFFFAOYSA-N
MW308.25 g/mol
LogP2.48
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride

N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride (PubChem CID 119641996) has the molecular formula C13H23Cl2N3O and a molecular weight of 308.25 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
PubChem CID119641996
Molecular FormulaC13H23Cl2N3O
Molecular Weight308.25 g/mol
Exact Mass307.12
IUPAC NameN-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(C)nc1.Cl.Cl
InChIInChI=1S/C13H21N3O.2ClH/c1-4-13(14,5-2)9-16-12(17)11-7-6-10(3)15-8-11;;/h6-8H,4-5,9,14H2,1-3H3,(H,16,17);2*1H
InChIKeyLJEBHLXGMOKAII-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide
CID 114164010
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611
N-(2-amino-2-ethylbutyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119641202
2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 81367392
N-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563
N-(2-amino-2-ethylbutyl)pyridine-4-carboxamide
CID 81482515
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-(2-amino-2-ethylbutyl)-4-butoxybenzamide;hydrochloride
CID 119640769
N-(2-amino-2-ethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119641088
N-(2-amino-2-ethylbutyl)-3-methylpyridine-2-carboxamide
CID 81483749
N-(2-amino-2-ethylbutyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119639748
N-[1-chloro-2-(chloromethyl)butan-2-yl]-6-methylpyridine-3-carboxamide
CID 107867635

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride (CID 119641996) is N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride is CCC(N)(CC)CNC(=O)c1ccc(C)nc1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is LJEBHLXGMOKAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.2ClH/c1-4-13(14,5-2)9-16-12(17)11-7-6-10(3)15-8-11;;/h6-8H,4-5,9,14H2,1-3H3,(H,16,17);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 308.25 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119641996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).