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

C12H16BrN3O2 — CID 114194006

IUPAC2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
SMILESCC1OCCC1N(C)C(=O)c1cc(N)ncc1Br
InChIInChI=1S/C12H16BrN3O2/c1-7-10(3-4-18-7)16(2)12(17)8-5-11(14)15-6-9(8)13/h5-7,10H,3-4H2,1-2H3,(H2,14,15)
InChIKeyHMGQZWBRUINTAY-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.68
Rot. Bonds2

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

2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide (PubChem CID 114194006) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
PubChem CID114194006
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
SMILESCC1OCCC1N(C)C(=O)c1cc(N)ncc1Br
InChIInChI=1S/C12H16BrN3O2/c1-7-10(3-4-18-7)16(2)12(17)8-5-11(14)15-6-9(8)13/h5-7,10H,3-4H2,1-2H3,(H2,14,15)
InChIKeyHMGQZWBRUINTAY-UHFFFAOYSA-N
XLogP1.68
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide (CID 114194006) is 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide is CC1OCCC1N(C)C(=O)c1cc(N)ncc1Br.
What is the InChIKey of 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
The InChIKey is HMGQZWBRUINTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-7-10(3-4-18-7)16(2)12(17)8-5-11(14)15-6-9(8)13/h5-7,10H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide?
2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114194006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).