3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid

C15H14N2O3 — CID 104740367

IUPAC3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
SMILESCc1cccc(CC(=O)Nc2cccnc2C(=O)O)c1
InChIInChI=1S/C15H14N2O3/c1-10-4-2-5-11(8-10)9-13(18)17-12-6-3-7-16-14(12)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeySNDGNFDVCSRVHQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.27
Rot. Bonds4

About 3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid

3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 104740367) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID104740367
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
SMILESCc1cccc(CC(=O)Nc2cccnc2C(=O)O)c1
InChIInChI=1S/C15H14N2O3/c1-10-4-2-5-11(8-10)9-13(18)17-12-6-3-7-16-14(12)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeySNDGNFDVCSRVHQ-UHFFFAOYSA-N
XLogP2.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
3-[[2-(3,4-difluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739842
3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
3-[(2-thiophen-3-ylacetyl)amino]pyridine-2-carboxylic acid
CID 104739616
3-[(3-methylphenyl)methylsulfanylmethyl]pyridine-2-carboxylic acid
CID 63098284
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740437
2-(3-hydroxyphenyl)-N-(2-methyl-3-pyridinyl)acetamide
CID 79043394
3-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740235
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104739935
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
2,6-dimethyl-3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 157035885
3-[(2-bromo-5-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743808

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid (CID 104740367) is 3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid is Cc1cccc(CC(=O)Nc2cccnc2C(=O)O)c1.
What is the InChIKey of 3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is SNDGNFDVCSRVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-4-2-5-11(8-10)9-13(18)17-12-6-3-7-16-14(12)15(19)20/h2-8H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid?
3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104740367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).