1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H26N4O3 — CID 72895755

IUPAC1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESC=CCN1CCC2(CCC1=O)CN(C(=O)c1ccc(=O)[nH]c1)CCN2C
InChIInChI=1S/C19H26N4O3/c1-3-9-22-10-8-19(7-6-17(22)25)14-23(12-11-21(19)2)18(26)15-4-5-16(24)20-13-15/h3-5,13H,1,6-12,14H2,2H3,(H,20,24)
InChIKeyFMGFYDTTYIWQIV-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.70
Rot. Bonds3

About 1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one

1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72895755) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72895755
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESC=CCN1CCC2(CCC1=O)CN(C(=O)c1ccc(=O)[nH]c1)CCN2C
InChIInChI=1S/C19H26N4O3/c1-3-9-22-10-8-19(7-6-17(22)25)14-23(12-11-21(19)2)18(26)15-4-5-16(24)20-13-15/h3-5,13H,1,6-12,14H2,2H3,(H,20,24)
InChIKeyFMGFYDTTYIWQIV-UHFFFAOYSA-N
XLogP0.70
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72895755) is 1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one is C=CCN1CCC2(CCC1=O)CN(C(=O)c1ccc(=O)[nH]c1)CCN2C.
What is the InChIKey of 1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is FMGFYDTTYIWQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-9-22-10-8-19(7-6-17(22)25)14-23(12-11-21(19)2)18(26)15-4-5-16(24)20-13-15/h3-5,13H,1,6-12,14H2,2H3,(H,20,24).
What are the key properties of 1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 358.44 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-oxo-1H-pyridine-3-carbonyl)-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72895755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).