N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride

C19H26Cl2N4O3 — CID 120889018

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride (PubChem CID 120889018) has the molecular formula C19H26Cl2N4O3 and a molecular weight of 429.35 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride
• PubChem CID: 120889018
• Molecular Formula: C19H26Cl2N4O3
• Molecular Weight: 429.35 g/mol
• Exact Mass: 428.14
• IUPAC Name: N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride
• SMILES: COCC1(CNC(=O)c2ccc(-c3ccccn3)[nH]c2=O)CCNCC1.Cl.Cl
• InChI: InChI=1S/C19H24N4O3.2ClH/c1-26-13-19(7-10-20-11-8-19)12-22-17(24)14-5-6-16(23-18(14)25)15-4-2-3-9-21-15;;/h2-6,9,20H,7-8,10-13H2,1H3,(H,22,24)(H,23,25);2*1H
• InChIKey: JTXUHVDAQGQWRZ-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 96.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.35
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride?

The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride (CID 120889018) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride.

What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride?

The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride is COCC1(CNC(=O)c2ccc(-c3ccccn3)[nH]c2=O)CCNCC1.Cl.Cl.

What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride?

The InChIKey is JTXUHVDAQGQWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3.2ClH/c1-26-13-19(7-10-20-11-8-19)12-22-17(24)14-5-6-16(23-18(14)25)15-4-2-3-9-21-15;;/h2-6,9,20H,7-8,10-13H2,1H3,(H,22,24)(H,23,25);2*1H.

What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride?

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride has a molecular weight of 429.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120889018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).