2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide

C12H18BrN3O — CID 114193918

IUPAC2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
SMILESCC(C)CCN(C)C(=O)c1cc(N)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-8(2)4-5-16(3)12(17)9-6-11(14)15-7-10(9)13/h6-8H,4-5H2,1-3H3,(H2,14,15)
InChIKeyDXNXXVQLJLHXMK-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.54
Rot. Bonds4

About 2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide

2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide (PubChem CID 114193918) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
PubChem CID114193918
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
SMILESCC(C)CCN(C)C(=O)c1cc(N)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-8(2)4-5-16(3)12(17)9-6-11(14)15-7-10(9)13/h6-8H,4-5H2,1-3H3,(H2,14,15)
InChIKeyDXNXXVQLJLHXMK-UHFFFAOYSA-N
XLogP2.54
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 62185839
2-amino-5-chloro-N-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922159
5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 55047297
2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 114193919
2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 114194010
5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide
CID 115330507
2-amino-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62185668
4-hydrazinyl-N,6-dimethyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 81256582
2-amino-3-fluoro-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 105385823
3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide
CID 103988541
2-methylpentyl 2-amino-5-bromopyridine-4-carboxylate
CID 114195815
5-bromo-4-N-methyl-4-N-(2-methylpropyl)pyridine-2,4-diamine
CID 130964439

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide (CID 114193918) is 2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide is CC(C)CCN(C)C(=O)c1cc(N)ncc1Br.
What is the InChIKey of 2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide?
The InChIKey is DXNXXVQLJLHXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8(2)4-5-16(3)12(17)9-6-11(14)15-7-10(9)13/h6-8H,4-5H2,1-3H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide?
2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 114193918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).