4-benzyl-2,5-dimethoxypyridine-3-carboxamide

C15H16N2O3 — CID 155093017

IUPAC4-benzyl-2,5-dimethoxypyridine-3-carboxamide
SMILESCOc1cnc(OC)c(C(N)=O)c1Cc1ccccc1
InChIInChI=1S/C15H16N2O3/c1-19-12-9-17-15(20-2)13(14(16)18)11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,16,18)
InChIKeyAQDMUQYKVJXAGT-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.79
Rot. Bonds5

About 4-benzyl-2,5-dimethoxypyridine-3-carboxamide

4-benzyl-2,5-dimethoxypyridine-3-carboxamide (PubChem CID 155093017) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-benzyl-2,5-dimethoxypyridine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-2,5-dimethoxypyridine-3-carboxamide
PubChem CID155093017
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-benzyl-2,5-dimethoxypyridine-3-carboxamide
SMILESCOc1cnc(OC)c(C(N)=O)c1Cc1ccccc1
InChIInChI=1S/C15H16N2O3/c1-19-12-9-17-15(20-2)13(14(16)18)11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,16,18)
InChIKeyAQDMUQYKVJXAGT-UHFFFAOYSA-N
XLogP1.79
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxypyridine-3-carboxamide
CID 22356790
2-(2-benzyl-3-methoxyphenoxy)acetamide
CID 174714930
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CID 58062859
2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide
CID 67428238
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
1-(3-benzyl-2,4-dimethoxyphenyl)ethanone
CID 14523506
3,5-dimethoxypyridine-4-carboxamide
CID 69277472
3-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 175807112
3-methoxy-4-methyl-5-phenoxypyridine-2-carboxamide
CID 175581561
2-benzyl-1,3-dimethoxy-5-phenylbenzene
CID 16741983
2-benzyl-4-methoxy-3-methylphenol
CID 70517924
6-amino-4-benzyl-5-carbamoyl-3-chloropyridine-2-carboxylic acid
CID 68662195

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,5-dimethoxypyridine-3-carboxamide?
The IUPAC name of 4-benzyl-2,5-dimethoxypyridine-3-carboxamide (CID 155093017) is 4-benzyl-2,5-dimethoxypyridine-3-carboxamide.
What is the SMILES notation for 4-benzyl-2,5-dimethoxypyridine-3-carboxamide?
The canonical SMILES for 4-benzyl-2,5-dimethoxypyridine-3-carboxamide is COc1cnc(OC)c(C(N)=O)c1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2,5-dimethoxypyridine-3-carboxamide?
The InChIKey is AQDMUQYKVJXAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-12-9-17-15(20-2)13(14(16)18)11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,16,18).
What are the key properties of 4-benzyl-2,5-dimethoxypyridine-3-carboxamide?
4-benzyl-2,5-dimethoxypyridine-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,5-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 155093017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).