4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride

C25H30Cl2N4O3 — CID 172911120

About 4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride

4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 172911120) has the molecular formula C25H30Cl2N4O3 and a molecular weight of 505.45 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride
• PubChem CID: 172911120
• Molecular Formula: C25H30Cl2N4O3
• Molecular Weight: 505.45 g/mol
• Exact Mass: 504.17
• IUPAC Name: 4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride
• SMILES: Cc1ccn(C2CCNCC2)c(=O)c1C(=O)Nc1ccc(OCCc2ccccn2)cc1.Cl.Cl
• InChI: InChI=1S/C25H28N4O3.2ClH/c1-18-11-16-29(21-9-14-26-15-10-21)25(31)23(18)24(30)28-20-5-7-22(8-6-20)32-17-12-19-4-2-3-13-27-19;;/h2-8,11,13,16,21,26H,9-10,12,14-15,17H2,1H3,(H,28,30);2*1H
• InChIKey: TZORDXFPGBPKRY-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 85.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.45
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride?

The IUPAC name of 4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride (CID 172911120) is 4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride.

What is the SMILES notation for 4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride?

The canonical SMILES for 4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride is Cc1ccn(C2CCNCC2)c(=O)c1C(=O)Nc1ccc(OCCc2ccccn2)cc1.Cl.Cl.

What is the InChIKey of 4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride?

The InChIKey is TZORDXFPGBPKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3.2ClH/c1-18-11-16-29(21-9-14-26-15-10-21)25(31)23(18)24(30)28-20-5-7-22(8-6-20)32-17-12-19-4-2-3-13-27-19;;/h2-8,11,13,16,21,26H,9-10,12,14-15,17H2,1H3,(H,28,30);2*1H.

What are the key properties of 4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride?

4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 505.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-oxo-1-piperidin-4-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 172911120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).