6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide

C14H14BrN3O — CID 62240529

IUPAC6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cccc(N)n1
InChIInChI=1S/C14H14BrN3O/c1-18(9-10-5-2-3-6-11(10)15)14(19)12-7-4-8-13(16)17-12/h2-8H,9H2,1H3,(H2,16,17)
InChIKeyMTYWZZOJZFNYMR-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.70
Rot. Bonds3

About 6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide

6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 62240529) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID62240529
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1cccc(N)n1
InChIInChI=1S/C14H14BrN3O/c1-18(9-10-5-2-3-6-11(10)15)14(19)12-7-4-8-13(16)17-12/h2-8H,9H2,1H3,(H2,16,17)
InChIKeyMTYWZZOJZFNYMR-UHFFFAOYSA-N
XLogP2.70
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62239842
6-amino-N-[(2-bromophenyl)methyl]-3-chloro-N-methylpyridine-2-carboxamide
CID 62160440
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935
6-amino-N-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 91793396
3-amino-N-[(2-bromophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523107
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
6-amino-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62238783
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
4-amino-N-[(2-bromophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
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methyl 6-[(2-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate
CID 32812277
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide (CID 62240529) is 6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide is CN(Cc1ccccc1Br)C(=O)c1cccc(N)n1.
What is the InChIKey of 6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is MTYWZZOJZFNYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-18(9-10-5-2-3-6-11(10)15)14(19)12-7-4-8-13(16)17-12/h2-8H,9H2,1H3,(H2,16,17).
What are the key properties of 6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide?
6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2-bromophenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 62240529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).