(5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide

C21H24N4O3 — CID 126432480

About (5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide

(5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 126432480) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

• Compound Name: (5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
• PubChem CID: 126432480
• Molecular Formula: C21H24N4O3
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: (5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
• SMILES: CN1C[C@]2(CCN(C(=O)Nc3ccc(CCc4ccccn4)cc3)C2)OC1=O
• InChI: InChI=1S/C21H24N4O3/c1-24-14-21(28-20(24)27)11-13-25(15-21)19(26)23-18-9-6-16(7-10-18)5-8-17-4-2-3-12-22-17/h2-4,6-7,9-10,12H,5,8,11,13-15H2,1H3,(H,23,26)/t21-/m0/s1
• InChIKey: CPDNYZHPCVXCBQ-NRFANRHFSA-N
• XLogP: 2.93
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?

The IUPAC name of (5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide (CID 126432480) is (5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide.

What is the SMILES notation for (5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?

The canonical SMILES for (5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide is CN1C[C@]2(CCN(C(=O)Nc3ccc(CCc4ccccn4)cc3)C2)OC1=O.

What is the InChIKey of (5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?

The InChIKey is CPDNYZHPCVXCBQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-24-14-21(28-20(24)27)11-13-25(15-21)19(26)23-18-9-6-16(7-10-18)5-8-17-4-2-3-12-22-17/h2-4,6-7,9-10,12H,5,8,11,13-15H2,1H3,(H,23,26)/t21-/m0/s1.

What are the key properties of (5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?

(5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-methyl-2-oxo-N-[4-(2-pyridin-2-ylethyl)phenyl]-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 126432480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).