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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Related Compounds

5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90153179
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-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid
CID 90153059
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
methyl 5-cyclopropyl-2-[(1-ethylindol-5-yl)amino]pyridine-3-carboxylate
CID 90152741
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
5-cyclopropyl-2-[(1-methyl-7-pyridin-3-ylindol-5-yl)amino]pyridine-3-carboxylic acid
CID 90153017
5-cyclopropyl-2-[[7-(2-hydroxyphenyl)-1-methylindol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152753
2-[[7-(2-chlorophenyl)-1-methylindol-5-yl]amino]-5-cyclopropylpyridine-3-carboxylic acid
CID 90152745
5-[(5-cyclopropyl-3-methoxycarbonyl-2-pyridinyl)amino]-7-phenylindole-1-carboxylic acid
CID 151546602

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).