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

C22H25N3O2 — CID 90153181

IUPAC5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCc1cn(CC(C)C)c2ccc(Nc3ncc(C4CC4)cc3C(=O)O)cc12
InChIInChI=1S/C22H25N3O2/c1-13(2)11-25-12-14(3)18-9-17(6-7-20(18)25)24-21-19(22(26)27)8-16(10-23-21)15-4-5-15/h6-10,12-13,15H,4-5,11H2,1-3H3,(H,23,24)(H,26,27)
InChIKeyBUXTZJZPIOTLAH-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.32
Rot. Bonds6

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

5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 90153181) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID90153181
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCc1cn(CC(C)C)c2ccc(Nc3ncc(C4CC4)cc3C(=O)O)cc12
InChIInChI=1S/C22H25N3O2/c1-13(2)11-25-12-14(3)18-9-17(6-7-20(18)25)24-21-19(22(26)27)8-16(10-23-21)15-4-5-15/h6-10,12-13,15H,4-5,11H2,1-3H3,(H,23,24)(H,26,27)
InChIKeyBUXTZJZPIOTLAH-UHFFFAOYSA-N
XLogP5.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-cyclopropyl-2-[(1-ethyl-3-phenylindol-5-yl)amino]pyridine-3-carboxylic acid
CID 90152926
5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90153179
5-cyclopropyl-2-[(9-ethyl-5,6,7,8-tetrahydrocarbazol-3-yl)amino]pyridine-3-carboxylic acid
CID 90152924
5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid
CID 90153059
5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152618
5-cyclopropyl-2-[[1-[(2,4-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid
CID 118358494
methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate
CID 90152741
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-cyclopentyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 83918791
5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152753
[5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]-3-pyridinyl]methanediol
CID 138500990
5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid
CID 90153017

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid (CID 90153181) is 5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid is Cc1cn(CC(C)C)c2ccc(Nc3ncc(C4CC4)cc3C(=O)O)cc12.
What is the InChIKey of 5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is BUXTZJZPIOTLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-13(2)11-25-12-14(3)18-9-17(6-7-20(18)25)24-21-19(22(26)27)8-16(10-23-21)15-4-5-15/h6-10,12-13,15H,4-5,11H2,1-3H3,(H,23,24)(H,26,27).
What are the key properties of 5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 363.46 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[3-methyl-1-(2-methylpropyl)indol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90153181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).