(2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C20H29N3O2 — CID 97477597

IUPAC(2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)cc(C)n1
InChIInChI=1S/C20H29N3O2/c1-15-11-17(12-16(2)21-15)19(24)23-9-6-20(14-23)13-18(5-10-25-20)22-7-3-4-8-22/h11-12,18H,3-10,13-14H2,1-2H3/t18-,20-/m1/s1
InChIKeyXBQUELGDHUPWBG-UYAOXDASSA-N
MW343.47 g/mol
LogP2.56
Rot. Bonds2

About (2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 97477597) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID97477597
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCc1cc(C(=O)N2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)cc(C)n1
InChIInChI=1S/C20H29N3O2/c1-15-11-17(12-16(2)21-15)19(24)23-9-6-20(14-23)13-18(5-10-25-20)22-7-3-4-8-22/h11-12,18H,3-10,13-14H2,1-2H3/t18-,20-/m1/s1
InChIKeyXBQUELGDHUPWBG-UYAOXDASSA-N
XLogP2.56
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 97477597) is (2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone is Cc1cc(C(=O)N2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)cc(C)n1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is XBQUELGDHUPWBG-UYAOXDASSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-11-17(12-16(2)21-15)19(24)23-9-6-20(14-23)13-18(5-10-25-20)22-7-3-4-8-22/h11-12,18H,3-10,13-14H2,1-2H3/t18-,20-/m1/s1.
What are the key properties of (2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 343.47 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97477597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).