2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide

C10H14BrN3O — CID 103885127

IUPAC2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
SMILESCNCCN(C)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C10H14BrN3O/c1-12-5-6-14(2)10(15)8-3-4-13-9(11)7-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyJCJUQZAODFGHOC-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.14
Rot. Bonds4

About 2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide

2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide (PubChem CID 103885127) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
PubChem CID103885127
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
SMILESCNCCN(C)C(=O)c1ccnc(Br)c1
InChIInChI=1S/C10H14BrN3O/c1-12-5-6-14(2)10(15)8-3-4-13-9(11)7-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyJCJUQZAODFGHOC-UHFFFAOYSA-N
XLogP1.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
2-bromo-N-methyl-N-prop-2-enylpyridine-4-carboxamide
CID 104952950
4-bromo-3-methoxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 67216049
N-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671511
2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide
CID 114326834
2-bromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 113255509
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-4-carboxamide
CID 103752068
2-bromo-N-[4-(dimethylamino)butyl]pyridine-4-carboxamide
CID 103755357
2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753880
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
CID 103752363
2-bromo-N-[(2,4-dimethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753955
N-methyl-N-[2-(methylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103885153

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide (CID 103885127) is 2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide is CNCCN(C)C(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is JCJUQZAODFGHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-12-5-6-14(2)10(15)8-3-4-13-9(11)7-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide?
2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 272.15 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 103885127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).