3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide

C11H16BrN3O — CID 107519243

IUPAC3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
SMILESCC(CN(C)C)NC(=O)c1ncccc1Br
InChIInChI=1S/C11H16BrN3O/c1-8(7-15(2)3)14-11(16)10-9(12)5-4-6-13-10/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeySACOERKVIYSOAB-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.52
Rot. Bonds4

About 3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide

3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide (PubChem CID 107519243) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
PubChem CID107519243
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
SMILESCC(CN(C)C)NC(=O)c1ncccc1Br
InChIInChI=1S/C11H16BrN3O/c1-8(7-15(2)3)14-11(16)10-9(12)5-4-6-13-10/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeySACOERKVIYSOAB-UHFFFAOYSA-N
XLogP1.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
3-bromo-N-(5-bromopentan-2-yl)pyridine-2-carboxamide
CID 107526265
N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide
CID 143839961
2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 122448607
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
3-bromo-N-(1-bromo-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526264
3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526234
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 107518195
3-bromo-N-(1-cyclopropylethyl)pyridine-2-carboxamide
CID 107517908
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107519204

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide (CID 107519243) is 3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide is CC(CN(C)C)NC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide?
The InChIKey is SACOERKVIYSOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-8(7-15(2)3)14-11(16)10-9(12)5-4-6-13-10/h4-6,8H,7H2,1-3H3,(H,14,16).
What are the key properties of 3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide?
3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 107519243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).