2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid

C15H13N3O3 — CID 166364586

IUPAC2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid
SMILESO=C1Cc2cc(CNc3ncccc3C(=O)O)ccc2N1
InChIInChI=1S/C15H13N3O3/c19-13-7-10-6-9(3-4-12(10)18-13)8-17-14-11(15(20)21)2-1-5-16-14/h1-6H,7-8H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyIZHQRHOJDFFASO-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.89
Rot. Bonds4

About 2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid

2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 166364586) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID166364586
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid
SMILESO=C1Cc2cc(CNc3ncccc3C(=O)O)ccc2N1
InChIInChI=1S/C15H13N3O3/c19-13-7-10-6-9(3-4-12(10)18-13)8-17-14-11(15(20)21)2-1-5-16-14/h1-6H,7-8H2,(H,16,17)(H,18,19)(H,20,21)
InChIKeyIZHQRHOJDFFASO-UHFFFAOYSA-N
XLogP1.89
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid (CID 166364586) is 2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid is O=C1Cc2cc(CNc3ncccc3C(=O)O)ccc2N1.
What is the InChIKey of 2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is IZHQRHOJDFFASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-13-7-10-6-9(3-4-12(10)18-13)8-17-14-11(15(20)21)2-1-5-16-14/h1-6H,7-8H2,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid?
2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 166364586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).