5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid

C23H19N3O2 — CID 90152575

IUPAC5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2-c2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c27-23(28)20-13-17(15-6-7-15)14-24-22(20)25-18-8-9-21-16(12-18)10-11-26(21)19-4-2-1-3-5-19/h1-5,8-15H,6-7H2,(H,24,25)(H,27,28)
InChIKeyZPJYCWKFQUNLAE-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.34
Rot. Bonds5

About 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid

5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid (PubChem CID 90152575) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid
PubChem CID90152575
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2-c2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c27-23(28)20-13-17(15-6-7-15)14-24-22(20)25-18-8-9-21-16(12-18)10-11-26(21)19-4-2-1-3-5-19/h1-5,8-15H,6-7H2,(H,24,25)(H,27,28)
InChIKeyZPJYCWKFQUNLAE-UHFFFAOYSA-N
XLogP5.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid (CID 90152575) is 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid is O=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2-c2ccccc2)c1.
What is the InChIKey of 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is ZPJYCWKFQUNLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23(28)20-13-17(15-6-7-15)14-24-22(20)25-18-8-9-21-16(12-18)10-11-26(21)19-4-2-1-3-5-19/h1-5,8-15H,6-7H2,(H,24,25)(H,27,28).
What are the key properties of 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90152575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).