[2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone

C20H29N3O2 — CID 131640587

IUPAC[2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone
SMILESCc1cccc(CN2CCC3(CCCC3C(=O)N3CCCCO3)C2)n1
InChIInChI=1S/C20H29N3O2/c1-16-6-4-7-17(21-16)14-22-12-10-20(15-22)9-5-8-18(20)19(24)23-11-2-3-13-25-23/h4,6-7,18H,2-3,5,8-15H2,1H3
InChIKeyINIVVPBLGMPUPM-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.94
Rot. Bonds3

About [2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone

[2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone (PubChem CID 131640587) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name[2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone
PubChem CID131640587
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone
SMILESCc1cccc(CN2CCC3(CCCC3C(=O)N3CCCCO3)C2)n1
InChIInChI=1S/C20H29N3O2/c1-16-6-4-7-17(21-16)14-22-12-10-20(15-22)9-5-8-18(20)19(24)23-11-2-3-13-25-23/h4,6-7,18H,2-3,5,8-15H2,1H3
InChIKeyINIVVPBLGMPUPM-UHFFFAOYSA-N
XLogP2.94
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone?
The IUPAC name of [2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone (CID 131640587) is [2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone.
What is the SMILES notation for [2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone?
The canonical SMILES for [2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone is Cc1cccc(CN2CCC3(CCCC3C(=O)N3CCCCO3)C2)n1.
What is the InChIKey of [2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone?
The InChIKey is INIVVPBLGMPUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-6-4-7-17(21-16)14-22-12-10-20(15-22)9-5-8-18(20)19(24)23-11-2-3-13-25-23/h4,6-7,18H,2-3,5,8-15H2,1H3.
What are the key properties of [2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone?
[2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone has a molecular weight of 343.47 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone is sourced from PubChem (CID 131640587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).