5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide

C11H13BrN2O — CID 130552943

IUPAC5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide
SMILESCC1CCC1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H13BrN2O/c1-7-2-3-10(7)14-11(15)8-4-9(12)6-13-5-8/h4-7,10H,2-3H2,1H3,(H,14,15)
InChIKeyKXSNJQQGAYPDFP-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.37
Rot. Bonds2

About 5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide

5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide (PubChem CID 130552943) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide
PubChem CID130552943
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide
SMILESCC1CCC1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C11H13BrN2O/c1-7-2-3-10(7)14-11(15)8-4-9(12)6-13-5-8/h4-7,10H,2-3H2,1H3,(H,14,15)
InChIKeyKXSNJQQGAYPDFP-UHFFFAOYSA-N
XLogP2.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-chlorocyclohexyl)pyridine-3-carboxamide
CID 114301232
5-bromo-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 63526340
5-bromo-N-(4-fluorooxolan-3-yl)pyridine-3-carboxamide
CID 126856342
5-bromo-N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamothioyl]pyridine-3-carboxamide
CID 11899719
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2433504
5-bromo-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 78906628
5-bromo-N-(3-methylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103708503
5-bromo-N-(2,3-dihydro-1H-inden-2-yl)pyridine-3-carboxamide
CID 2823446
5-bromo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 1122328
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide
CID 79711416
5-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]pyridine-3-carboxamide
CID 55081948
5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95984966

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide (CID 130552943) is 5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide is CC1CCC1NC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide?
The InChIKey is KXSNJQQGAYPDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-7-2-3-10(7)14-11(15)8-4-9(12)6-13-5-8/h4-7,10H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide?
5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide has a molecular weight of 269.14 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylcyclobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 130552943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).