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

C15H16BrN3O2 — CID 62160081

IUPAC2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(Br)cnc1N
InChIInChI=1S/C15H16BrN3O2/c1-19(9-10-5-3-4-6-13(10)21-2)15(20)12-7-11(16)8-18-14(12)17/h3-8H,9H2,1-2H3,(H2,17,18)
InChIKeyPDPBPFGASVNKRL-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.71
Rot. Bonds4

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

2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 62160081) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID62160081
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(Br)cnc1N
InChIInChI=1S/C15H16BrN3O2/c1-19(9-10-5-3-4-6-13(10)21-2)15(20)12-7-11(16)8-18-14(12)17/h3-8H,9H2,1-2H3,(H2,17,18)
InChIKeyPDPBPFGASVNKRL-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

2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678
5-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 61112841
5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103600356
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
2-amino-3-fluoro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105385482
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 17412285
5-amino-2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 61111701
3-amino-N-[(2-methoxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61112078
3-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523848
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide
CID 62187326
3-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 61417620

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide (CID 62160081) is 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide is COc1ccccc1CN(C)C(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is PDPBPFGASVNKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-19(9-10-5-3-4-6-13(10)21-2)15(20)12-7-11(16)8-18-14(12)17/h3-8H,9H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide?
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-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 2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 62160081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).