N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide

C18H23N3O — CID 109151561

IUPACN-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)N(C)Cc2ccccc2)cn1
InChIInChI=1S/C18H23N3O/c1-3-4-12-19-17-11-10-16(13-20-17)18(22)21(2)14-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H,19,20)
InChIKeyOVYJXXVGEURHIJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.57
Rot. Bonds7

About N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide

N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide (PubChem CID 109151561) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
PubChem CID109151561
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)N(C)Cc2ccccc2)cn1
InChIInChI=1S/C18H23N3O/c1-3-4-12-19-17-11-10-16(13-20-17)18(22)21(2)14-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H,19,20)
InChIKeyOVYJXXVGEURHIJ-UHFFFAOYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-6-(pentylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109161120
N-benzyl-6-[2-(3-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109156352
N,N-diethyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160732
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
CID 109170237
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
CID 109154268
N-benzyl-N-methyl-2-(propylamino)pyrimidine-5-carboxamide
CID 109246693
N-ethyl-N-phenyl-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160792
N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109158221
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62176856
N-benzyl-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109156390
N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112852236

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide (CID 109151561) is N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide is CCCCNc1ccc(C(=O)N(C)Cc2ccccc2)cn1.
What is the InChIKey of N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide?
The InChIKey is OVYJXXVGEURHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-4-12-19-17-11-10-16(13-20-17)18(22)21(2)14-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H,19,20).
What are the key properties of N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide?
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109151561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).