4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane

C27H34N2O3 — CID 143234356

IUPAC4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane
SMILESCC.CC.Cc1ccc(-c2ccc(CCC(=O)Nc3ccncc3C(=O)O)cc2)c(C)c1
InChIInChI=1S/C23H22N2O3.2C2H6/c1-15-3-9-19(16(2)13-15)18-7-4-17(5-8-18)6-10-22(26)25-21-11-12-24-14-20(21)23(27)28;2*1-2/h3-5,7-9,11-14H,6,10H2,1-2H3,(H,27,28)(H,24,25,26);2*1-2H3
InChIKeyRJHYHIMZCDLTDW-UHFFFAOYSA-N
MW434.58 g/mol
LogP6.69
Rot. Bonds6

About 4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane

4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane (PubChem CID 143234356) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is 4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane
PubChem CID143234356
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC Name4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane
SMILESCC.CC.Cc1ccc(-c2ccc(CCC(=O)Nc3ccncc3C(=O)O)cc2)c(C)c1
InChIInChI=1S/C23H22N2O3.2C2H6/c1-15-3-9-19(16(2)13-15)18-7-4-17(5-8-18)6-10-22(26)25-21-11-12-24-14-20(21)23(27)28;2*1-2/h3-5,7-9,11-14H,6,10H2,1-2H3,(H,27,28)(H,24,25,26);2*1-2H3
InChIKeyRJHYHIMZCDLTDW-UHFFFAOYSA-N
XLogP6.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid
CID 43359065
2-[3-[4-(2-methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11523335
2-[3-[4-(3-methylphenyl)phenyl]propanoylamino]benzoic acid
CID 11710202
3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
CID 63669494
3-methyl-4-[3-(4-methylphenyl)propanoylamino]benzoic acid
CID 17341392
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
CID 63650622
5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid
CID 114289592
5-chloro-2-[3-(4-methylphenyl)propanoylamino]benzamide
CID 75417297
N-[2-[3-(4-methylphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 108925345
2-[3-(4-naphthalen-2-ylphenyl)propanoylamino]benzoic acid
CID 11552978
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-(4-methylphenyl)propanamide
CID 39185832

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane?
The IUPAC name of 4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane (CID 143234356) is 4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane.
What is the SMILES notation for 4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane?
The canonical SMILES for 4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane is CC.CC.Cc1ccc(-c2ccc(CCC(=O)Nc3ccncc3C(=O)O)cc2)c(C)c1.
What is the InChIKey of 4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane?
The InChIKey is RJHYHIMZCDLTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3.2C2H6/c1-15-3-9-19(16(2)13-15)18-7-4-17(5-8-18)6-10-22(26)25-21-11-12-24-14-20(21)23(27)28;2*1-2/h3-5,7-9,11-14H,6,10H2,1-2H3,(H,27,28)(H,24,25,26);2*1-2H3.
What are the key properties of 4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane?
4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane has a molecular weight of 434.58 g/mol, XLogP of 6.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane is sourced from PubChem (CID 143234356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).