5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid

C25H23N3O2 — CID 90153179

IUPAC5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCc1ccc(-c2cn(C)c3ccc(Nc4ncc(C5CC5)cc4C(=O)O)cc23)cc1
InChIInChI=1S/C25H23N3O2/c1-15-3-5-17(6-4-15)22-14-28(2)23-10-9-19(12-20(22)23)27-24-21(25(29)30)11-18(13-26-24)16-7-8-16/h3-6,9-14,16H,7-8H2,1-2H3,(H,26,27)(H,29,30)
InChIKeyPMTXLOKYXNMUND-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.87
Rot. Bonds5

About 5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid

5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 90153179) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID90153179
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCc1ccc(-c2cn(C)c3ccc(Nc4ncc(C5CC5)cc4C(=O)O)cc23)cc1
InChIInChI=1S/C25H23N3O2/c1-15-3-5-17(6-4-15)22-14-28(2)23-10-9-19(12-20(22)23)27-24-21(25(29)30)11-18(13-26-24)16-7-8-16/h3-6,9-14,16H,7-8H2,1-2H3,(H,26,27)(H,29,30)
InChIKeyPMTXLOKYXNMUND-UHFFFAOYSA-N
XLogP5.87
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.87
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-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid (CID 90153179) is 5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid is Cc1ccc(-c2cn(C)c3ccc(Nc4ncc(C5CC5)cc4C(=O)O)cc23)cc1.
What is the InChIKey of 5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is PMTXLOKYXNMUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-15-3-5-17(6-4-15)22-14-28(2)23-10-9-19(12-20(22)23)27-24-21(25(29)30)11-18(13-26-24)16-7-8-16/h3-6,9-14,16H,7-8H2,1-2H3,(H,26,27)(H,29,30).
What are the key properties of 5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 397.48 g/mol, XLogP of 5.87, 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-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90153179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).