1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid

C15H12N2O3 — CID 43196836

IUPAC1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)c1cccnc1
InChIInChI=1S/C15H12N2O3/c18-14(11-5-3-7-16-9-11)17-12-6-2-1-4-10(12)8-13(17)15(19)20/h1-7,9,13H,8H2,(H,19,20)
InChIKeyPZRNYVNFAJHEPY-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.74
Rot. Bonds2

About 1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid

1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 43196836) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID43196836
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)c1cccnc1
InChIInChI=1S/C15H12N2O3/c18-14(11-5-3-7-16-9-11)17-12-6-2-1-4-10(12)8-13(17)15(19)20/h1-7,9,13H,8H2,(H,19,20)
InChIKeyPZRNYVNFAJHEPY-UHFFFAOYSA-N
XLogP1.74
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-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

1-(Pyridin-4-ylmethyl)indoline-2,3-dione
CID 8035385
DU 1777
CID 3081108
2-Methyl-1-(3-pyridinylcarbonyl)indoline
CID 2970589
(2S)-2-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)-3-phenylpropanoic acid
CID 3236492
1-{4-Carboxy-4-[(pyridine-3-carbonyl)-amino]-butyryl}-2,3-dihydro-1H-indole-2-carboxylic acid
CID 13937779
1-{4-Carboxy-4-[(pyridine-2-carbonyl)-amino]-butyryl}-2,3-dihydro-1H-indole-2-carboxylic acid
CID 13937787
(2E)-1-acetyl-2-(pyridin-4-ylmethylene)-1,2-dihydro-3H-indol-3-one
CID 6243806
2,3-Dihydroindol-1-yl(pyridin-3-yl)methanone
CID 669080
(2S)-3-phenyl-2-(pyridine-3-carbonylamino)propanoic acid
CID 5307679
(2S,5R)-5-(2-chlorophenyl)-1-(6-(2-fluorophenyl)nicotinoyl)pyrrolidine-2-carboxylic acid
CID 67257211
Hexanoic acid, 6-(10,11-dihydro-10-methyl-11-oxo-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)-, (E)-
CID 6449705
Hexanoic acid, 6-(10,11-dihydro-10-methyl-11-oxo-5H-pyrido(3,4-c)(1)benzazepin-5-ylidene)-, (Z)-
CID 6449706

Frequently Asked Questions

What is the IUPAC name of 1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 43196836) is 1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1C(=O)c1cccnc1.
What is the InChIKey of 1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is PZRNYVNFAJHEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-14(11-5-3-7-16-9-11)17-12-6-2-1-4-10(12)8-13(17)15(19)20/h1-7,9,13H,8H2,(H,19,20).
What are the key properties of 1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 43196836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).