(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone

C24H26N4O2 — CID 163311569

IUPAC(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(-c3nccc4ncccc34)cc2)CC12CCOCC2
InChIInChI=1S/C24H26N4O2/c1-27-13-14-28(17-24(27)9-15-30-16-10-24)23(29)19-6-4-18(5-7-19)22-20-3-2-11-25-21(20)8-12-26-22/h2-8,11-12H,9-10,13-17H2,1H3
InChIKeyUQVBAFNJHNMCCL-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.23
Rot. Bonds2

About (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone

(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone (PubChem CID 163311569) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone
PubChem CID163311569
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(-c3nccc4ncccc34)cc2)CC12CCOCC2
InChIInChI=1S/C24H26N4O2/c1-27-13-14-28(17-24(27)9-15-30-16-10-24)23(29)19-6-4-18(5-7-19)22-20-3-2-11-25-21(20)8-12-26-22/h2-8,11-12H,9-10,13-17H2,1H3
InChIKeyUQVBAFNJHNMCCL-UHFFFAOYSA-N
XLogP3.23
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone?
The IUPAC name of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone (CID 163311569) is (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone.
What is the SMILES notation for (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone?
The canonical SMILES for (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone is CN1CCN(C(=O)c2ccc(-c3nccc4ncccc34)cc2)CC12CCOCC2.
What is the InChIKey of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone?
The InChIKey is UQVBAFNJHNMCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-27-13-14-28(17-24(27)9-15-30-16-10-24)23(29)19-6-4-18(5-7-19)22-20-3-2-11-25-21(20)8-12-26-22/h2-8,11-12H,9-10,13-17H2,1H3.
What are the key properties of (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone?
(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone has a molecular weight of 402.50 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-[4-(1,6-naphthyridin-5-yl)phenyl]methanone is sourced from PubChem (CID 163311569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).