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

C19H21ClN4O2 — CID 67508089

IUPAC8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccnc1-c1cc(N2CCC3(CC2)CN(C)C(=O)O3)ncc1Cl
InChIInChI=1S/C19H21ClN4O2/c1-13-4-3-7-21-17(13)14-10-16(22-11-15(14)20)24-8-5-19(6-9-24)12-23(2)18(25)26-19/h3-4,7,10-11H,5-6,8-9,12H2,1-2H3
InChIKeyANFTXFNLBJITGH-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.53
Rot. Bonds2

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

8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 67508089) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID67508089
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccnc1-c1cc(N2CCC3(CC2)CN(C)C(=O)O3)ncc1Cl
InChIInChI=1S/C19H21ClN4O2/c1-13-4-3-7-21-17(13)14-10-16(22-11-15(14)20)24-8-5-19(6-9-24)12-23(2)18(25)26-19/h3-4,7,10-11H,5-6,8-9,12H2,1-2H3
InChIKeyANFTXFNLBJITGH-UHFFFAOYSA-N
XLogP3.53
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.53
H-Bond Donors ≤ 50
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]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 67508089) is 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-methyl-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]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cccnc1-c1cc(N2CCC3(CC2)CN(C)C(=O)O3)ncc1Cl.
What is the InChIKey of 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ANFTXFNLBJITGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c1-13-4-3-7-21-17(13)14-10-16(22-11-15(14)20)24-8-5-19(6-9-24)12-23(2)18(25)26-19/h3-4,7,10-11H,5-6,8-9,12H2,1-2H3.
What are the key properties of 8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 372.86 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 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]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 67508089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).