3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H21N5O4 — CID 18275658

IUPAC3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c2c(C)noc2n1
InChIInChI=1S/C18H21N5O4/c1-9-4-6-18(7-5-9)16(25)23(17(26)20-18)21-14(24)12-8-10(2)19-15-13(12)11(3)22-27-15/h8-9H,4-7H2,1-3H3,(H,20,26)(H,21,24)
InChIKeyCEVUYKWMJBMBMS-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.99
Rot. Bonds2

About 3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18275658) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID18275658
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c2c(C)noc2n1
InChIInChI=1S/C18H21N5O4/c1-9-4-6-18(7-5-9)16(25)23(17(26)20-18)21-14(24)12-8-10(2)19-15-13(12)11(3)22-27-15/h8-9H,4-7H2,1-3H3,(H,20,26)(H,21,24)
InChIKeyCEVUYKWMJBMBMS-UHFFFAOYSA-N
XLogP1.99
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 18275658) is 3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c2c(C)noc2n1.
What is the InChIKey of 3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CEVUYKWMJBMBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-9-4-6-18(7-5-9)16(25)23(17(26)20-18)21-14(24)12-8-10(2)19-15-13(12)11(3)22-27-15/h8-9H,4-7H2,1-3H3,(H,20,26)(H,21,24).
What are the key properties of 3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18275658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).