8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H19ClN4O2 — CID 67508753

IUPAC8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccnc1-c1cc(N2CCC3(CC2)CNC(=O)O3)ncc1Cl
InChIInChI=1S/C18H19ClN4O2/c1-12-3-2-6-20-16(12)13-9-15(21-10-14(13)19)23-7-4-18(5-8-23)11-22-17(24)25-18/h2-3,6,9-10H,4-5,7-8,11H2,1H3,(H,22,24)
InChIKeyRPBSVJAEONHHQK-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.18
Rot. Bonds2

About 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 67508753) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID67508753
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccnc1-c1cc(N2CCC3(CC2)CNC(=O)O3)ncc1Cl
InChIInChI=1S/C18H19ClN4O2/c1-12-3-2-6-20-16(12)13-9-15(21-10-14(13)19)23-7-4-18(5-8-23)11-22-17(24)25-18/h2-3,6,9-10H,4-5,7-8,11H2,1H3,(H,22,24)
InChIKeyRPBSVJAEONHHQK-UHFFFAOYSA-N
XLogP3.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 67508753) is 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cccnc1-c1cc(N2CCC3(CC2)CNC(=O)O3)ncc1Cl.
What is the InChIKey of 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RPBSVJAEONHHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-12-3-2-6-20-16(12)13-9-15(21-10-14(13)19)23-7-4-18(5-8-23)11-22-17(24)25-18/h2-3,6,9-10H,4-5,7-8,11H2,1H3,(H,22,24).
What are the key properties of 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 358.83 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 67508753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).