3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide

C21H24N4O — CID 51087807

IUPAC3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2ccc(-n3ccnc3C)nc2)c(C)c1
InChIInChI=1S/C21H24N4O/c1-15-4-6-19(16(2)12-15)7-9-21(26)24-14-18-5-8-20(23-13-18)25-11-10-22-17(25)3/h4-6,8,10-13H,7,9,14H2,1-3H3,(H,24,26)
InChIKeyUOYAGDFNNWHUOW-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.44
Rot. Bonds6

About 3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide

3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 51087807) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide
PubChem CID51087807
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2ccc(-n3ccnc3C)nc2)c(C)c1
InChIInChI=1S/C21H24N4O/c1-15-4-6-19(16(2)12-15)7-9-21(26)24-14-18-5-8-20(23-13-18)25-11-10-22-17(25)3/h4-6,8,10-13H,7,9,14H2,1-3H3,(H,24,26)
InChIKeyUOYAGDFNNWHUOW-UHFFFAOYSA-N
XLogP3.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-1-[6-(2-methylimidazol-1-yl)-3-pyridinyl]methanamine
CID 47052690
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)acetamide
CID 87023045
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide
CID 87023050
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
1-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111938401
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 56818547
3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18155598
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 78904891
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 99953800
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 119848284
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848271

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide (CID 51087807) is 3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide is Cc1ccc(CCC(=O)NCc2ccc(-n3ccnc3C)nc2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is UOYAGDFNNWHUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-4-6-19(16(2)12-15)7-9-21(26)24-14-18-5-8-20(23-13-18)25-11-10-22-17(25)3/h4-6,8,10-13H,7,9,14H2,1-3H3,(H,24,26).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide?
3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 51087807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).