5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide

C11H16BrN3O — CID 59392699

IUPAC5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
SMILESCN(C)CCN(C)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O/c1-14(2)6-7-15(3)11(16)10-5-4-9(12)8-13-10/h4-5,8H,6-7H2,1-3H3
InChIKeyWQMSTZPVPAGCMV-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.48
Rot. Bonds4

About 5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide

5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide (PubChem CID 59392699) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
PubChem CID59392699
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
SMILESCN(C)CCN(C)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H16BrN3O/c1-14(2)6-7-15(3)11(16)10-5-4-9(12)8-13-10/h4-5,8H,6-7H2,1-3H3
InChIKeyWQMSTZPVPAGCMV-UHFFFAOYSA-N
XLogP1.48
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide
CID 63395409
5-bromo-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 62954256
5-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55152124
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 63699160
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 63694504
5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 80666509
N-[2-(dimethylamino)ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 110483041
N-[3-(dimethylamino)propyl]-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104641378
(5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62952392
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692
5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 62953059

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide (CID 59392699) is 5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide is CN(C)CCN(C)C(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is WQMSTZPVPAGCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-14(2)6-7-15(3)11(16)10-5-4-9(12)8-13-10/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide?
5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 286.17 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 59392699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).