N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride

C13H21BrClN3O2 — CID 119660821

IUPACN-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1c[nH]c(=O)c(Br)c1.Cl
InChIInChI=1S/C13H20BrN3O2.ClH/c1-8(2)11(15)4-5-17(3)13(19)9-6-10(14)12(18)16-7-9;/h6-8,11H,4-5,15H2,1-3H3,(H,16,18);1H
InChIKeyIXKPXZVTIZDDPA-UHFFFAOYSA-N
MW366.69 g/mol
LogP2.00
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 119660821) has the molecular formula C13H21BrClN3O2 and a molecular weight of 366.69 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID119660821
Molecular FormulaC13H21BrClN3O2
Molecular Weight366.69 g/mol
Exact Mass365.05
IUPAC NameN-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1c[nH]c(=O)c(Br)c1.Cl
InChIInChI=1S/C13H20BrN3O2.ClH/c1-8(2)11(15)4-5-17(3)13(19)9-6-10(14)12(18)16-7-9;/h6-8,11H,4-5,15H2,1-3H3,(H,16,18);1H
InChIKeyIXKPXZVTIZDDPA-UHFFFAOYSA-N
XLogP2.00
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 115317414
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 119656479
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
N-(3-amino-4-methylpentyl)-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 119659005
2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid
CID 119208771
N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide
CID 115317476
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
CID 115317454

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride (CID 119660821) is N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1c[nH]c(=O)c(Br)c1.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is IXKPXZVTIZDDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2.ClH/c1-8(2)11(15)4-5-17(3)13(19)9-6-10(14)12(18)16-7-9;/h6-8,11H,4-5,15H2,1-3H3,(H,16,18);1H.
What are the key properties of N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 366.69 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119660821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).