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

C25H23N3O2 — CID 90152926

IUPAC5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid
SMILESCCn1cc(-c2ccccc2)c2cc(Nc3ncc(C4CC4)cc3C(=O)O)ccc21
InChIInChI=1S/C25H23N3O2/c1-2-28-15-22(17-6-4-3-5-7-17)20-13-19(10-11-23(20)28)27-24-21(25(29)30)12-18(14-26-24)16-8-9-16/h3-7,10-16H,2,8-9H2,1H3,(H,26,27)(H,29,30)
InChIKeyRRRBXNJXMBVPNO-UHFFFAOYSA-N
MW397.48 g/mol
LogP6.04
Rot. Bonds6

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

5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid (PubChem CID 90152926) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid
PubChem CID90152926
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid
SMILESCCn1cc(-c2ccccc2)c2cc(Nc3ncc(C4CC4)cc3C(=O)O)ccc21
InChIInChI=1S/C25H23N3O2/c1-2-28-15-22(17-6-4-3-5-7-17)20-13-19(10-11-23(20)28)27-24-21(25(29)30)12-18(14-26-24)16-8-9-16/h3-7,10-16H,2,8-9H2,1H3,(H,26,27)(H,29,30)
InChIKeyRRRBXNJXMBVPNO-UHFFFAOYSA-N
XLogP6.04
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 56.04
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-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid (CID 90152926) is 5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid is CCn1cc(-c2ccccc2)c2cc(Nc3ncc(C4CC4)cc3C(=O)O)ccc21.
What is the InChIKey of 5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is RRRBXNJXMBVPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-2-28-15-22(17-6-4-3-5-7-17)20-13-19(10-11-23(20)28)27-24-21(25(29)30)12-18(14-26-24)16-8-9-16/h3-7,10-16H,2,8-9H2,1H3,(H,26,27)(H,29,30).
What are the key properties of 5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 397.48 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90152926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).