9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C21H23N5O4 — CID 155870786

About 9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 155870786) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: 9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
• PubChem CID: 155870786
• Molecular Formula: C21H23N5O4
• Molecular Weight: 409.45 g/mol
• Exact Mass: 409.18
• IUPAC Name: 9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
• SMILES: Cn1cccc(C(=O)N2CCCC3(CC(C(=O)NCc4cccnc4)=NO3)C2)c1=O
• InChI: InChI=1S/C21H23N5O4/c1-25-9-3-6-16(19(25)28)20(29)26-10-4-7-21(14-26)11-17(24-30-21)18(27)23-13-15-5-2-8-22-12-15/h2-3,5-6,8-9,12H,4,7,10-11,13-14H2,1H3,(H,23,27)
• InChIKey: CUOITUOMUIUKOV-UHFFFAOYSA-N
• XLogP: 0.85
• TPSA: 105.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.45
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The IUPAC name of 9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 155870786) is 9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

What is the SMILES notation for 9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The canonical SMILES for 9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is Cn1cccc(C(=O)N2CCCC3(CC(C(=O)NCc4cccnc4)=NO3)C2)c1=O.

What is the InChIKey of 9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The InChIKey is CUOITUOMUIUKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-25-9-3-6-16(19(25)28)20(29)26-10-4-7-21(14-26)11-17(24-30-21)18(27)23-13-15-5-2-8-22-12-15/h2-3,5-6,8-9,12H,4,7,10-11,13-14H2,1H3,(H,23,27).

What are the key properties of 9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1-methyl-2-oxopyridine-3-carbonyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 155870786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).