3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C14H18N4O3 — CID 106528257

IUPAC3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCNc1ncccc1CN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C14H18N4O3/c1-15-11-10(3-2-6-16-11)9-18-12(19)14(17-13(18)20)4-7-21-8-5-14/h2-3,6H,4-5,7-9H2,1H3,(H,15,16)(H,17,20)
InChIKeySRTXNNGBVPRRDQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.72
Rot. Bonds3

About 3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 106528257) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID106528257
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCNc1ncccc1CN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C14H18N4O3/c1-15-11-10(3-2-6-16-11)9-18-12(19)14(17-13(18)20)4-7-21-8-5-14/h2-3,6H,4-5,7-9H2,1H3,(H,15,16)(H,17,20)
InChIKeySRTXNNGBVPRRDQ-UHFFFAOYSA-N
XLogP0.72
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 106528257) is 3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is CNc1ncccc1CN1C(=O)NC2(CCOCC2)C1=O.
What is the InChIKey of 3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is SRTXNNGBVPRRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-15-11-10(3-2-6-16-11)9-18-12(19)14(17-13(18)20)4-7-21-8-5-14/h2-3,6H,4-5,7-9H2,1H3,(H,15,16)(H,17,20).
What are the key properties of 3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 290.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 106528257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).