2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid

C23H19N3O3 — CID 172847353

IUPAC2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid
SMILESCc1ccc2c(c1)c(C(=O)Nc1ccccc1C(=O)O)cn2Cc1ccccn1
InChIInChI=1S/C23H19N3O3/c1-15-9-10-21-18(12-15)19(14-26(21)13-16-6-4-5-11-24-16)22(27)25-20-8-3-2-7-17(20)23(28)29/h2-12,14H,13H2,1H3,(H,25,27)(H,28,29)
InChIKeyXPIWPQOVZRZZSS-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.34
Rot. Bonds5

About 2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid

2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid (PubChem CID 172847353) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid
PubChem CID172847353
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid
SMILESCc1ccc2c(c1)c(C(=O)Nc1ccccc1C(=O)O)cn2Cc1ccccn1
InChIInChI=1S/C23H19N3O3/c1-15-9-10-21-18(12-15)19(14-26(21)13-16-6-4-5-11-24-16)22(27)25-20-8-3-2-7-17(20)23(28)29/h2-12,14H,13H2,1H3,(H,25,27)(H,28,29)
InChIKeyXPIWPQOVZRZZSS-UHFFFAOYSA-N
XLogP4.34
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid?
The IUPAC name of 2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid (CID 172847353) is 2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid is Cc1ccc2c(c1)c(C(=O)Nc1ccccc1C(=O)O)cn2Cc1ccccn1.
What is the InChIKey of 2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid?
The InChIKey is XPIWPQOVZRZZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15-9-10-21-18(12-15)19(14-26(21)13-16-6-4-5-11-24-16)22(27)25-20-8-3-2-7-17(20)23(28)29/h2-12,14H,13H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid?
2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid has a molecular weight of 385.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid is sourced from PubChem (CID 172847353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).