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

C15H22BrN3O — CID 106612024

IUPAC5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C15H22BrN3O/c1-2-3-9-19(11-13-5-4-8-17-13)15(20)14-7-6-12(16)10-18-14/h6-7,10,13,17H,2-5,8-9,11H2,1H3
InChIKeyJWXPNFNUGGJULO-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.84
Rot. Bonds6

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

5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 106612024) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID106612024
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
SMILESCCCCN(CC1CCCN1)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C15H22BrN3O/c1-2-3-9-19(11-13-5-4-8-17-13)15(20)14-7-6-12(16)10-18-14/h6-7,10,13,17H,2-5,8-9,11H2,1H3
InChIKeyJWXPNFNUGGJULO-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

5-bromo-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611118
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
3-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 107520350
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741
5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106609136
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
2-bromo-N-butyl-6-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611910
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106611897
5-bromo-N-butyl-4-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106612185
N-butyl-4-cyano-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612332
N-butyl-4-chloro-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106612141
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612004

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide (CID 106612024) is 5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide is CCCCN(CC1CCCN1)C(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is JWXPNFNUGGJULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-2-3-9-19(11-13-5-4-8-17-13)15(20)14-7-6-12(16)10-18-14/h6-7,10,13,17H,2-5,8-9,11H2,1H3.
What are the key properties of 5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide?
5-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 5-bromo-N-butyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 106612024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).