2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate

C14H18ClN4O4- — CID 22262647

About 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate

2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate (PubChem CID 22262647) has the molecular formula C14H18ClN4O4- and a molecular weight of 341.78 g/mol. Its IUPAC name is 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate.

Molecular Properties

• Compound Name: 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate
• PubChem CID: 22262647
• Molecular Formula: C14H18ClN4O4-
• Molecular Weight: 341.78 g/mol
• Exact Mass: 341.10
• IUPAC Name: 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate
• SMILES: Nc1[nH]c(=O)c(C(=O)NCC2CCN(CC(=O)[O-])CC2)cc1Cl
• InChI: InChI=1S/C14H19ClN4O4/c15-10-5-9(14(23)18-12(10)16)13(22)17-6-8-1-3-19(4-2-8)7-11(20)21/h5,8H,1-4,6-7H2,(H,17,22)(H,20,21)(H3,16,18,23)/p-1
• InChIKey: KHMOVUIOQZVBSK-UHFFFAOYSA-M
• XLogP: -1.20
• TPSA: 131.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.78
LogP ≤ 5	-1.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate?

The IUPAC name of 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate (CID 22262647) is 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate.

What is the SMILES notation for 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate?

The canonical SMILES for 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate is Nc1[nH]c(=O)c(C(=O)NCC2CCN(CC(=O)[O-])CC2)cc1Cl.

What is the InChIKey of 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate?

The InChIKey is KHMOVUIOQZVBSK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19ClN4O4/c15-10-5-9(14(23)18-12(10)16)13(22)17-6-8-1-3-19(4-2-8)7-11(20)21/h5,8H,1-4,6-7H2,(H,17,22)(H,20,21)(H3,16,18,23)/p-1.

What are the key properties of 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate?

2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate has a molecular weight of 341.78 g/mol, XLogP of -1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[(6-amino-5-chloro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidin-1-yl]acetate is sourced from PubChem (CID 22262647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).