7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide

C18H19N8O+ — CID 123295215

About 7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide

7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide (PubChem CID 123295215) has the molecular formula C18H19N8O+ and a molecular weight of 363.41 g/mol. Its IUPAC name is 7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide.

Molecular Properties

• Compound Name: 7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide
• PubChem CID: 123295215
• Molecular Formula: C18H19N8O+
• Molecular Weight: 363.41 g/mol
• Exact Mass: 363.17
• IUPAC Name: 7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide
• SMILES: N#Cc1ccc(N2CCC(Nc3c(C(N)=O)cnc4[nH+]c[nH]c34)CC2)nc1
• InChI: InChI=1S/C18H18N8O/c19-7-11-1-2-14(21-8-11)26-5-3-12(4-6-26)25-15-13(17(20)27)9-22-18-16(15)23-10-24-18/h1-2,8-10,12H,3-6H2,(H2,20,27)(H2,22,23,24,25)/p+1
• InChIKey: CQZDTMWSIPBGMB-UHFFFAOYSA-O
• XLogP: 0.82
• TPSA: 137.86 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	363.41
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide?

The IUPAC name of 7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide (CID 123295215) is 7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide.

What is the SMILES notation for 7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide?

The canonical SMILES for 7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide is N#Cc1ccc(N2CCC(Nc3c(C(N)=O)cnc4[nH+]c[nH]c34)CC2)nc1.

What is the InChIKey of 7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide?

The InChIKey is CQZDTMWSIPBGMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18N8O/c19-7-11-1-2-14(21-8-11)26-5-3-12(4-6-26)25-15-13(17(20)27)9-22-18-16(15)23-10-24-18/h1-2,8-10,12H,3-6H2,(H2,20,27)(H2,22,23,24,25)/p+1.

What are the key properties of 7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide?

7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxamide is sourced from PubChem (CID 123295215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).