5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid

C15H15N3O3 — CID 103869217

IUPAC5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(N)C(=O)Nc2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C15H15N3O3/c1-9-2-4-10(5-3-9)13(16)14(19)18-12-6-11(15(20)21)7-17-8-12/h2-8,13H,16H2,1H3,(H,18,19)(H,20,21)
InChIKeyYCANWMIZBVCRDZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.73
Rot. Bonds4

About 5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid

5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid (PubChem CID 103869217) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid
PubChem CID103869217
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(N)C(=O)Nc2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C15H15N3O3/c1-9-2-4-10(5-3-9)13(16)14(19)18-12-6-11(15(20)21)7-17-8-12/h2-8,13H,16H2,1H3,(H,18,19)(H,20,21)
InChIKeyYCANWMIZBVCRDZ-UHFFFAOYSA-N
XLogP1.73
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid 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

5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid
CID 79022911
5-[(4-methylphenyl)carbamothioylamino]pyridine-3-carboxylic acid
CID 146674947
5-(2-aminopentanoylamino)pyridine-3-carboxylic acid
CID 55164466
5-[2-(carbamoylamino)propanoylamino]pyridine-3-carboxylic acid
CID 63154469
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 120666693
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-tert-butylbenzamide
CID 120667141
5-[(2-fluoro-5-methylphenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63158030
2-amino-2-(4-methylphenyl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 120666535
3-[[(2S)-2-amino-2-phenylacetyl]amino]benzoic acid
CID 103868733
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
2-amino-2-(4-methylphenyl)-N-(3-methyl-4-pyridinyl)acetamide
CID 106151710
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid (CID 103869217) is 5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid is Cc1ccc(C(N)C(=O)Nc2cncc(C(=O)O)c2)cc1.
What is the InChIKey of 5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid?
The InChIKey is YCANWMIZBVCRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-2-4-10(5-3-9)13(16)14(19)18-12-6-11(15(20)21)7-17-8-12/h2-8,13H,16H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid?
5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 103869217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).