2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile

C17H23N5O2 — CID 72937324

IUPAC2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile
SMILESCOc1nccc(N2CCN(C)C3(CCNC(=O)CC3)C2)c1C#N
InChIInChI=1S/C17H23N5O2/c1-21-9-10-22(12-17(21)5-3-15(23)19-8-6-17)14-4-7-20-16(24-2)13(14)11-18/h4,7H,3,5-6,8-10,12H2,1-2H3,(H,19,23)
InChIKeyTYXLUWRRZACZPG-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.75
Rot. Bonds2

About 2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile

2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile (PubChem CID 72937324) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile
PubChem CID72937324
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile
SMILESCOc1nccc(N2CCN(C)C3(CCNC(=O)CC3)C2)c1C#N
InChIInChI=1S/C17H23N5O2/c1-21-9-10-22(12-17(21)5-3-15(23)19-8-6-17)14-4-7-20-16(24-2)13(14)11-18/h4,7H,3,5-6,8-10,12H2,1-2H3,(H,19,23)
InChIKeyTYXLUWRRZACZPG-UHFFFAOYSA-N
XLogP0.75
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile (CID 72937324) is 2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile is COc1nccc(N2CCN(C)C3(CCNC(=O)CC3)C2)c1C#N.
What is the InChIKey of 2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile?
The InChIKey is TYXLUWRRZACZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-9-10-22(12-17(21)5-3-15(23)19-8-6-17)14-4-7-20-16(24-2)13(14)11-18/h4,7H,3,5-6,8-10,12H2,1-2H3,(H,19,23).
What are the key properties of 2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile?
2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile has a molecular weight of 329.40 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 72937324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).