4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

C19H18N6O2 — CID 68593261

About 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 68593261) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
• PubChem CID: 68593261
• Molecular Formula: C19H18N6O2
• Molecular Weight: 362.39 g/mol
• Exact Mass: 362.15
• IUPAC Name: 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
• SMILES: N#Cc1ccc(N2CCC(Nc3c(C(=O)O)cnc4[nH]ccc34)CC2)nc1
• InChI: InChI=1S/C19H18N6O2/c20-9-12-1-2-16(22-10-12)25-7-4-13(5-8-25)24-17-14-3-6-21-18(14)23-11-15(17)19(26)27/h1-3,6,10-11,13H,4-5,7-8H2,(H,26,27)(H2,21,23,24)
• InChIKey: LULOOSVDLXDRHW-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 117.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.39
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The IUPAC name of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 68593261) is 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.

What is the SMILES notation for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The canonical SMILES for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is N#Cc1ccc(N2CCC(Nc3c(C(=O)O)cnc4[nH]ccc34)CC2)nc1.

What is the InChIKey of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The InChIKey is LULOOSVDLXDRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c20-9-12-1-2-16(22-10-12)25-7-4-13(5-8-25)24-17-14-3-6-21-18(14)23-11-15(17)19(26)27/h1-3,6,10-11,13H,4-5,7-8H2,(H,26,27)(H2,21,23,24).

What are the key properties of 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 362.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 68593261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).