N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide

C18H23N3O — CID 113015350

IUPACN-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide
SMILESCCCCN(C)c1ccc(NC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C18H23N3O/c1-3-4-12-21(2)17-11-10-16(14-19-17)20-18(22)13-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,22)
InChIKeyULYQSJGPOJQAIF-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.50
Rot. Bonds7

About N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide

N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide (PubChem CID 113015350) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide
PubChem CID113015350
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide
SMILESCCCCN(C)c1ccc(NC(=O)Cc2ccccc2)cn1
InChIInChI=1S/C18H23N3O/c1-3-4-12-21(2)17-11-10-16(14-19-17)20-18(22)13-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,22)
InChIKeyULYQSJGPOJQAIF-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide
CID 113015385
2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide
CID 113015333
N-[6-[butyl(methyl)amino]-3-pyridinyl]-3-phenylpropane-1-sulfonamide
CID 113015430
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015015
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113011981
N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113015372
2-(4-bromophenyl)-N-[6-(N-methylanilino)-3-pyridinyl]acetamide
CID 113016501
N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113015387
2-(4-bromophenyl)-N-[6-(dipropylamino)-3-pyridinyl]acetamide
CID 113015729
2-(4-acetamidophenyl)-N-[6-(dimethylamino)-3-pyridinyl]acetamide
CID 30295273
N-[6-(N-methylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113016495
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113012596

Frequently Asked Questions

What is the IUPAC name of N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide (CID 113015350) is N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide is CCCCN(C)c1ccc(NC(=O)Cc2ccccc2)cn1.
What is the InChIKey of N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide?
The InChIKey is ULYQSJGPOJQAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-4-12-21(2)17-11-10-16(14-19-17)20-18(22)13-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide?
N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 297.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 113015350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).