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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Related Compounds

5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid
CID 90152926
methyl 2-[(3-bromo-1-methylindol-5-yl)amino]-5-cyclopropylpyridine-3-carboxylate;methyl 5-cyclopropyl-2-[[3-(4-fluorophenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylate;propane
CID 144618921
5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90153181
5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid
CID 90152924
5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid
CID 90153017
5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152618
5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152753
2-[[3-(3-cyanophenyl)-1-methylindol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid
CID 160631724
2-[(7-bromo-1-methylindol-5-yl)amino]-5-cyclopropylpyridine-3-carboxylic acid;2-[[7-(4-cyanophenyl)-1-methylindol-5-yl]amino]-5-cyclopropylpyridine-3-carboxylic acid;ethane
CID 144619087
2-[[7-(2-chlorophenyl)-1-methylindol-5-yl]amino]-5-cyclopropylpyridine-3-carboxylic acid
CID 90152745
5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid
CID 159437384
5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid
CID 90153059

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).