3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide

C15H22BrN3O — CID 107520350

IUPAC3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ncccc1Br
InChIInChI=1S/C15H22BrN3O/c1-2-3-10-19(11-12-6-4-8-17-12)15(20)14-13(16)7-5-9-18-14/h5,7,9,12,17H,2-4,6,8,10-11H2,1H3
InChIKeyPCJPUWPIFZLNBK-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.84
Rot. Bonds6

About 3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide

3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 107520350) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID107520350
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ncccc1Br
InChIInChI=1S/C15H22BrN3O/c1-2-3-10-19(11-12-6-4-8-17-12)15(20)14-13(16)7-5-9-18-14/h5,7,9,12,17H,2-4,6,8,10-11H2,1H3
InChIKeyPCJPUWPIFZLNBK-UHFFFAOYSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611910
5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106612024
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106611897
N-butyl-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612084
5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106612185
3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611115
N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612263
1-butyl-3,3-dimethyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613384

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide (CID 107520350) is 3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide is CCCCN(CC1CCCN1)C(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is PCJPUWPIFZLNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-3-10-19(11-12-6-4-8-17-12)15(20)14-13(16)7-5-9-18-14/h5,7,9,12,17H,2-4,6,8,10-11H2,1H3.
What are the key properties of 3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107520350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).