5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide

C15H22BrN3O — CID 106611118

IUPAC5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)CN(CC1CCCN1)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C15H22BrN3O/c1-11(2)9-19(10-13-4-3-7-17-13)15(20)14-6-5-12(16)8-18-14/h5-6,8,11,13,17H,3-4,7,9-10H2,1-2H3
InChIKeyBQVYXFXTLKWERT-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.69
Rot. Bonds5

About 5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide

5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 106611118) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID106611118
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
SMILESCC(C)CN(CC1CCCN1)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C15H22BrN3O/c1-11(2)9-19(10-13-4-3-7-17-13)15(20)14-6-5-12(16)8-18-14/h5-6,8,11,13,17H,3-4,7,9-10H2,1-2H3
InChIKeyBQVYXFXTLKWERT-UHFFFAOYSA-N
XLogP2.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106612024
5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611177
5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106609136
3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611115
1,5-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106611340
3,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611087
2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611361
2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611182
5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106610975
N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
CID 106611351
4-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 106610939
4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611187

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide (CID 106611118) is 5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide is CC(C)CN(CC1CCCN1)C(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is BQVYXFXTLKWERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-11(2)9-19(10-13-4-3-7-17-13)15(20)14-6-5-12(16)8-18-14/h5-6,8,11,13,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 106611118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).