4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide

C17H21N3O2 — CID 109205672

IUPAC4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C17H21N3O2/c1-20(13-14-6-4-3-5-7-14)15-8-9-18-16(12-15)17(21)19-10-11-22-2/h3-9,12H,10-11,13H2,1-2H3,(H,19,21)
InChIKeyOLKUJXQHWRAGJZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.09
Rot. Bonds7

About 4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide

4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 109205672) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID109205672
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C17H21N3O2/c1-20(13-14-6-4-3-5-7-14)15-8-9-18-16(12-15)17(21)19-10-11-22-2/h3-9,12H,10-11,13H2,1-2H3,(H,19,21)
InChIKeyOLKUJXQHWRAGJZ-UHFFFAOYSA-N
XLogP2.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[benzyl(methyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109211014
4-(N-benzylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205803
4-[benzyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109211018
4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109082370
N-benzyl-4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]pyridine-2-carboxamide
CID 75463659
4-[benzyl(methyl)amino]-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211059
4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212580
4-N-benzyl-2-N-(3-methoxypropyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109082654
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
N-(1,3-benzodioxol-5-ylmethyl)-4-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 109211009
4-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)pyridine-2-carboxamide
CID 109211114
4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide
CID 60877624

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 109205672) is 4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1cc(N(C)Cc2ccccc2)ccn1.
What is the InChIKey of 4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is OLKUJXQHWRAGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20(13-14-6-4-3-5-7-14)15-8-9-18-16(12-15)17(21)19-10-11-22-2/h3-9,12H,10-11,13H2,1-2H3,(H,19,21).
What are the key properties of 4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide?
4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109205672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).