5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide

C13H17BrN4O2 — CID 63289968

IUPAC5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)N(CCC#N)CCOC
InChIInChI=1S/C13H17BrN4O2/c1-16-12-11(8-10(14)9-17-12)13(19)18(5-3-4-15)6-7-20-2/h8-9H,3,5-7H2,1-2H3,(H,16,17)
InChIKeyPOQZBICXDJDERJ-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.89
Rot. Bonds7

About 5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide

5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 63289968) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is 5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID63289968
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)N(CCC#N)CCOC
InChIInChI=1S/C13H17BrN4O2/c1-16-12-11(8-10(14)9-17-12)13(19)18(5-3-4-15)6-7-20-2/h8-9H,3,5-7H2,1-2H3,(H,16,17)
InChIKeyPOQZBICXDJDERJ-UHFFFAOYSA-N
XLogP1.89
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
CID 55170952
5-bromo-N-(2-cyanoethyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 63237207
N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63286998
4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 81227229
4-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 63237164
5-bromo-N-(3-methoxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55047194
5-bromo-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 79386356
5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62179231
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55172677
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63286185
5-bromo-N-methyl-2-(methylamino)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 55047297
5-bromo-N-methyl-2-(methylamino)-N-pentylpyridine-3-carboxamide
CID 62168980

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide (CID 63289968) is 5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)N(CCC#N)CCOC.
What is the InChIKey of 5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is POQZBICXDJDERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c1-16-12-11(8-10(14)9-17-12)13(19)18(5-3-4-15)6-7-20-2/h8-9H,3,5-7H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide?
5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 63289968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).