6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide

C15H15BrClN3O — CID 133292141

IUPAC6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide
SMILESCN(CCc1ccc(Br)cc1)c1ncc(C(N)=O)cc1Cl
InChIInChI=1S/C15H15BrClN3O/c1-20(7-6-10-2-4-12(16)5-3-10)15-13(17)8-11(9-19-15)14(18)21/h2-5,8-9H,6-7H2,1H3,(H2,18,21)
InChIKeyVGYQCUKEBQWMOZ-UHFFFAOYSA-N
MW368.66 g/mol
LogP3.28
Rot. Bonds5

About 6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide

6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide (PubChem CID 133292141) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is 6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide
PubChem CID133292141
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide
SMILESCN(CCc1ccc(Br)cc1)c1ncc(C(N)=O)cc1Cl
InChIInChI=1S/C15H15BrClN3O/c1-20(7-6-10-2-4-12(16)5-3-10)15-13(17)8-11(9-19-15)14(18)21/h2-5,8-9H,6-7H2,1H3,(H2,18,21)
InChIKeyVGYQCUKEBQWMOZ-UHFFFAOYSA-N
XLogP3.28
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-[[3-(dimethylamino)phenyl]methyl-methylamino]pyridine-3-carboxamide
CID 133385930
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide
CID 122143450
5-chloro-6-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxamide
CID 75418381
[5-chloro-6-[methyl(2-phenylethyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273355
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide
CID 103583156
3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]propanethioamide
CID 103582230
5-chloro-6-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyridine-3-carboxamide
CID 133294145
5-chloro-6-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pyridine-3-carboxamide
CID 133356764
5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine
CID 115148671
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 103580195

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide (CID 133292141) is 6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide is CN(CCc1ccc(Br)cc1)c1ncc(C(N)=O)cc1Cl.
What is the InChIKey of 6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide?
The InChIKey is VGYQCUKEBQWMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-20(7-6-10-2-4-12(16)5-3-10)15-13(17)8-11(9-19-15)14(18)21/h2-5,8-9H,6-7H2,1H3,(H2,18,21).
What are the key properties of 6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide?
6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide has a molecular weight of 368.66 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-bromophenyl)ethyl-methylamino]-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 133292141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).