1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride

C23H30ClN3O4 — CID 172911869

About 1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride

1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride (PubChem CID 172911869) has the molecular formula C23H30ClN3O4 and a molecular weight of 447.96 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride
• PubChem CID: 172911869
• Molecular Formula: C23H30ClN3O4
• Molecular Weight: 447.96 g/mol
• Exact Mass: 447.19
• IUPAC Name: 1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride
• SMILES: COc1ccccc1-n1ccc(C)c(C(=O)NC2CCCOC23CCNCC3)c1=O.Cl
• InChI: InChI=1S/C23H29N3O4.ClH/c1-16-9-14-26(17-6-3-4-7-18(17)29-2)22(28)20(16)21(27)25-19-8-5-15-30-23(19)10-12-24-13-11-23;/h3-4,6-7,9,14,19,24H,5,8,10-13,15H2,1-2H3,(H,25,27);1H
• InChIKey: OHTAHLAZALZFJR-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 81.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.96
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride?

The IUPAC name of 1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride (CID 172911869) is 1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride.

What is the SMILES notation for 1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride?

The canonical SMILES for 1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride is COc1ccccc1-n1ccc(C)c(C(=O)NC2CCCOC23CCNCC3)c1=O.Cl.

What is the InChIKey of 1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride?

The InChIKey is OHTAHLAZALZFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4.ClH/c1-16-9-14-26(17-6-3-4-7-18(17)29-2)22(28)20(16)21(27)25-19-8-5-15-30-23(19)10-12-24-13-11-23;/h3-4,6-7,9,14,19,24H,5,8,10-13,15H2,1-2H3,(H,25,27);1H.

What are the key properties of 1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride?

1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride has a molecular weight of 447.96 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyphenyl)-4-methyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)-2-oxopyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 172911869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).