3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide

C15H16BrN3O2 — CID 104741521

IUPAC3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1ncccc1N
InChIInChI=1S/C15H16BrN3O2/c1-19(15(20)14-12(17)4-3-7-18-14)9-10-8-11(16)5-6-13(10)21-2/h3-8H,9,17H2,1-2H3
InChIKeyGFILKNDZRFMZCW-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.71
Rot. Bonds4

About 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide

3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 104741521) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID104741521
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)c1ncccc1N
InChIInChI=1S/C15H16BrN3O2/c1-19(15(20)14-12(17)4-3-7-18-14)9-10-8-11(16)5-6-13(10)21-2/h3-8H,9,17H2,1-2H3
InChIKeyGFILKNDZRFMZCW-UHFFFAOYSA-N
XLogP2.71
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxy-N-methylpyridine-3-carboxamide
CID 4786419
3-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 61417620
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 60938045
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(difluoromethylsulfanyl)-N-methylpyridine-3-carboxamide
CID 24544420
3-amino-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741078
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylpropanamide
CID 120586900
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267680
N-[(5-bromo-2-methoxyphenyl)methyl]-5-chloro-N-methylpyrazine-2-carboxamide
CID 107236575
(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 93367470
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide (CID 104741521) is 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide is COc1ccc(Br)cc1CN(C)C(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is GFILKNDZRFMZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-19(15(20)14-12(17)4-3-7-18-14)9-10-8-11(16)5-6-13(10)21-2/h3-8H,9,17H2,1-2H3.
What are the key properties of 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide?
3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 104741521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).