[(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone

C20H29N3O2 — CID 98896012

IUPAC[(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone
SMILESCc1cccc(CN2CC[C@@]3(CCC[C@@H]3C(=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/t18-,20+/m1/s1
InChIKeyINIVVPBLGMPUPM-QUCCMNQESA-N
MW343.47 g/mol
LogP2.94
Rot. Bonds3

About [(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone

[(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone (PubChem CID 98896012) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name[(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone
PubChem CID98896012
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone
SMILESCc1cccc(CN2CC[C@@]3(CCC[C@@H]3C(=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/t18-,20+/m1/s1
InChIKeyINIVVPBLGMPUPM-QUCCMNQESA-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

Analyze [(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone
CID 131640587
[(5R,9R)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895994
[(5R,9R)-2-[(6-methoxy-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-pyrrolidin-1-ylmethanone
CID 124797033
[(4R,4aR,8aR)-6-[(6-methyl-2-pyridinyl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97367105
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129
[(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895050
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
morpholin-4-yl-[2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 131697489
morpholin-4-yl-[(5R,9R)-2-(pyridin-3-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 124787358
[(5S,9S)-2-[(2-methylpyrazol-3-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98897335
2-[(6-methyl-2-pyridinyl)methyl]-9-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 118746600
[2-[(1,3-dimethylpyrazol-4-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 131645555

Frequently Asked Questions

What is the IUPAC name of [(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone?
The IUPAC name of [(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone (CID 98896012) is [(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone.
What is the SMILES notation for [(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone?
The canonical SMILES for [(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone is Cc1cccc(CN2CC[C@@]3(CCC[C@@H]3C(=O)N3CCCCO3)C2)n1.
What is the InChIKey of [(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone?
The InChIKey is INIVVPBLGMPUPM-QUCCMNQESA-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/t18-,20+/m1/s1.
What are the key properties of [(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone?
[(5R,9S)-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 [(5R,9S)-2-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonan-9-yl]-(oxazinan-2-yl)methanone is sourced from PubChem (CID 98896012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).