6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid

C20H30N4O3 — CID 72841401

About 6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid

6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid (PubChem CID 72841401) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid
• PubChem CID: 72841401
• Molecular Formula: C20H30N4O3
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.23
• IUPAC Name: 6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid
• SMILES: CN(C)CCCN1CC2(CCC1=O)CCN(c1ccc(C(=O)O)cn1)CC2
• InChI: InChI=1S/C20H30N4O3/c1-22(2)10-3-11-24-15-20(7-6-18(24)25)8-12-23(13-9-20)17-5-4-16(14-21-17)19(26)27/h4-5,14H,3,6-13,15H2,1-2H3,(H,26,27)
• InChIKey: CHSQHOKLJVRBQI-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 76.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid?

The IUPAC name of 6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid (CID 72841401) is 6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid is CN(C)CCCN1CC2(CCC1=O)CCN(c1ccc(C(=O)O)cn1)CC2.

What is the InChIKey of 6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid?

The InChIKey is CHSQHOKLJVRBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-22(2)10-3-11-24-15-20(7-6-18(24)25)8-12-23(13-9-20)17-5-4-16(14-21-17)19(26)27/h4-5,14H,3,6-13,15H2,1-2H3,(H,26,27).

What are the key properties of 6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid?

6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid has a molecular weight of 374.49 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[3-(dimethylamino)propyl]-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 72841401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).