4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide

C15H16N2O2 — CID 11459527

IUPAC4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide
SMILESCON(C)C(=O)c1cnccc1Cc1ccccc1
InChIInChI=1S/C15H16N2O2/c1-17(19-2)15(18)14-11-16-9-8-13(14)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyHRAXZTDAEZJIFE-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.31
Rot. Bonds4

About 4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide

4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 11459527) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide
PubChem CID11459527
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide
SMILESCON(C)C(=O)c1cnccc1Cc1ccccc1
InChIInChI=1S/C15H16N2O2/c1-17(19-2)15(18)14-11-16-9-8-13(14)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyHRAXZTDAEZJIFE-UHFFFAOYSA-N
XLogP2.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate
CID 54547746
5-(benzylamino)-N-methoxy-N-methyl-1H-pyrazole-4-carboxamide
CID 123841690
ethane;methyl 4-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91145440
3-benzyl-N-methoxy-N,4-dimethyl-1,2-oxazole-5-carboxamide
CID 139467450
2-(aminomethyl)-N-methoxy-N-methylbenzamide
CID 82505220
N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 104547715
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
N-methoxy-N-methyl-5-(2-phenylethyl)pyridine-2-carboxamide
CID 175979322
1-benzyl-5-(difluoromethyl)-N-methoxy-N-methylpyrazole-4-carboxamide
CID 139467089
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
1-(2-benzylphenyl)-1-methyl-3-(pyridin-3-ylmethyl)urea
CID 21487121
2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide
CID 158439697

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide (CID 11459527) is 4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide is CON(C)C(=O)c1cnccc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is HRAXZTDAEZJIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(19-2)15(18)14-11-16-9-8-13(14)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide?
4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 11459527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).