N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide

C12H18BrN3O2 — CID 119656479

IUPACN-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C12H18BrN3O2/c1-12(2,6-14)7-16(3)11(18)8-4-9(13)10(17)15-5-8/h4-5H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyUNWCIHYDWLUECP-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.19
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 119656479) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID119656479
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1c[nH]c(=O)c(Br)c1
InChIInChI=1S/C12H18BrN3O2/c1-12(2,6-14)7-16(3)11(18)8-4-9(13)10(17)15-5-8/h4-5H,6-7,14H2,1-3H3,(H,15,17)
InChIKeyUNWCIHYDWLUECP-UHFFFAOYSA-N
XLogP1.19
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 79652401
N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
CID 114018521
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119660821
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119652529
N-(3-amino-2,2-dimethylpropyl)-3,4,5-triethoxy-N-methylbenzamide
CID 119653583
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)-methylamino]propanoic acid
CID 119208771
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 119657221
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 119656479) is N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide is CN(CC(C)(C)CN)C(=O)c1c[nH]c(=O)c(Br)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UNWCIHYDWLUECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-12(2,6-14)7-16(3)11(18)8-4-9(13)10(17)15-5-8/h4-5H,6-7,14H2,1-3H3,(H,15,17).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 316.20 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 119656479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).