5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid

C16H16N2O3 — CID 43359065

IUPAC5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid
SMILESCc1ccc(NC(=O)CCc2cccnc2)c(C(=O)O)c1
InChIInChI=1S/C16H16N2O3/c1-11-4-6-14(13(9-11)16(20)21)18-15(19)7-5-12-3-2-8-17-10-12/h2-4,6,8-10H,5,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyIIKAFMDEAZDXKR-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.66
Rot. Bonds5

About 5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid

5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid (PubChem CID 43359065) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid
PubChem CID43359065
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid
SMILESCc1ccc(NC(=O)CCc2cccnc2)c(C(=O)O)c1
InChIInChI=1S/C16H16N2O3/c1-11-4-6-14(13(9-11)16(20)21)18-15(19)7-5-12-3-2-8-17-10-12/h2-4,6,8-10H,5,7H2,1H3,(H,18,19)(H,20,21)
InChIKeyIIKAFMDEAZDXKR-UHFFFAOYSA-N
XLogP2.66
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 34754830
N-(5-fluoro-2-methylphenyl)-3-pyridin-3-ylpropanamide
CID 9208566
N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 46991790
5-methyl-2-(pyridin-3-ylmethyl)benzoic acid
CID 104736791
4-[3-[4-(2,4-dimethylphenyl)phenyl]propanoylamino]pyridine-3-carboxylic acid;ethane
CID 143234356
N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110865452
2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid
CID 43823093
N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide
CID 50966390
methyl 2-hydroxy-3-(3-pyridin-3-ylpropanoylamino)benzoate
CID 56784435
N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 56782320
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
5-fluoro-2-(3-pyridin-4-ylpropanoylamino)benzoic acid
CID 114289592

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid?
The IUPAC name of 5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid (CID 43359065) is 5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid.
What is the SMILES notation for 5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid?
The canonical SMILES for 5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid is Cc1ccc(NC(=O)CCc2cccnc2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid?
The InChIKey is IIKAFMDEAZDXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-4-6-14(13(9-11)16(20)21)18-15(19)7-5-12-3-2-8-17-10-12/h2-4,6,8-10H,5,7H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid?
5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid is sourced from PubChem (CID 43359065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).