3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide

C11H13BrN2O — CID 107519323

IUPAC3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
SMILESCC1CC1CNC(=O)c1ncccc1Br
InChIInChI=1S/C11H13BrN2O/c1-7-5-8(7)6-14-11(15)10-9(12)3-2-4-13-10/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyHRTRNLZMDGIQKB-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.23
Rot. Bonds3

About 3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide

3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide (PubChem CID 107519323) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
PubChem CID107519323
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide
SMILESCC1CC1CNC(=O)c1ncccc1Br
InChIInChI=1S/C11H13BrN2O/c1-7-5-8(7)6-14-11(15)10-9(12)3-2-4-13-10/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKeyHRTRNLZMDGIQKB-UHFFFAOYSA-N
XLogP2.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 107520198
3-bromo-N-(cyclohex-3-en-1-ylmethyl)pyridine-2-carboxamide
CID 107518869
3-bromo-N-(3-methylcyclopentyl)pyridine-2-carboxamide
CID 107519432
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
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-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223
3-bromo-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-2-carboxamide
CID 107519206
3-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 107518109

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide (CID 107519323) is 3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide is CC1CC1CNC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide?
The InChIKey is HRTRNLZMDGIQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-7-5-8(7)6-14-11(15)10-9(12)3-2-4-13-10/h2-4,7-8H,5-6H2,1H3,(H,14,15).
What are the key properties of 3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide?
3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide has a molecular weight of 269.14 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-methylcyclopropyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107519323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).