4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid

C26H21N5O4 — CID 135887081

IUPAC4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccc(C(=O)O)cc5)ncc4C)ccc3[nH]2)n1
InChIInChI=1S/C26H21N5O4/c1-14-12-27-22(24(32)28-13-16-3-5-17(6-4-16)26(33)34)11-20(14)18-7-8-21-19(9-18)10-23(30-21)25-29-15(2)31-35-25/h3-12,30H,13H2,1-2H3,(H,28,32)(H,33,34)
InChIKeyMOKOYWUWOZIRMJ-UHFFFAOYSA-N
MW467.49 g/mol
LogP4.52
Rot. Bonds6

About 4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid

4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid (PubChem CID 135887081) has the molecular formula C26H21N5O4 and a molecular weight of 467.49 g/mol. Its IUPAC name is 4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid
PubChem CID135887081
Molecular FormulaC26H21N5O4
Molecular Weight467.49 g/mol
Exact Mass467.16
IUPAC Name4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid
SMILESCc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccc(C(=O)O)cc5)ncc4C)ccc3[nH]2)n1
InChIInChI=1S/C26H21N5O4/c1-14-12-27-22(24(32)28-13-16-3-5-17(6-4-16)26(33)34)11-20(14)18-7-8-21-19(9-18)10-23(30-21)25-29-15(2)31-35-25/h3-12,30H,13H2,1-2H3,(H,28,32)(H,33,34)
InChIKeyMOKOYWUWOZIRMJ-UHFFFAOYSA-N
XLogP4.52
TPSA134.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid (CID 135887081) is 4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid is Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccc(C(=O)O)cc5)ncc4C)ccc3[nH]2)n1.
What is the InChIKey of 4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid?
The InChIKey is MOKOYWUWOZIRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O4/c1-14-12-27-22(24(32)28-13-16-3-5-17(6-4-16)26(33)34)11-20(14)18-7-8-21-19(9-18)10-23(30-21)25-29-15(2)31-35-25/h3-12,30H,13H2,1-2H3,(H,28,32)(H,33,34).
What are the key properties of 4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid?
4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid has a molecular weight of 467.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridine-2-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 135887081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).