3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide

C11H13BrN2O2 — CID 107517566

IUPAC3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
SMILESCC(C)C(=O)CNC(=O)c1ncccc1Br
InChIInChI=1S/C11H13BrN2O2/c1-7(2)9(15)6-14-11(16)10-8(12)4-3-5-13-10/h3-5,7H,6H2,1-2H3,(H,14,16)
InChIKeyYWAJOYPPAOTPHK-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.80
Rot. Bonds4

About 3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide

3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide (PubChem CID 107517566) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
PubChem CID107517566
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
SMILESCC(C)C(=O)CNC(=O)c1ncccc1Br
InChIInChI=1S/C11H13BrN2O2/c1-7(2)9(15)6-14-11(16)10-8(12)4-3-5-13-10/h3-5,7H,6H2,1-2H3,(H,14,16)
InChIKeyYWAJOYPPAOTPHK-UHFFFAOYSA-N
XLogP1.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
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-methylhexyl)pyridine-2-carboxamide
CID 107519204
3-bromo-N-[2-[butan-2-yl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 114078807
3-bromo-N-(1-bromo-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526264
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-bromo-N-(1-chloro-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 107526234
3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
CID 107519243
3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 107519370
3-bromo-N-(5-bromopentan-2-yl)pyridine-2-carboxamide
CID 107526265

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide (CID 107517566) is 3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide is CC(C)C(=O)CNC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide?
The InChIKey is YWAJOYPPAOTPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-7(2)9(15)6-14-11(16)10-8(12)4-3-5-13-10/h3-5,7H,6H2,1-2H3,(H,14,16).
What are the key properties of 3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide?
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 107517566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).