prop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate

C15H20N2O4 — CID 118335456

IUPACprop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
SMILESC=CCOC(=O)CCCCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H20N2O4/c1-2-10-21-14(19)6-4-3-5-9-16-15(20)12-7-8-13(18)17-11-12/h2,7-8,11H,1,3-6,9-10H2,(H,16,20)(H,17,18)
InChIKeyHPDHLPMQPNLROI-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.39
Rot. Bonds9

About prop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate

prop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate (PubChem CID 118335456) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is prop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate.

Molecular Properties

Compound Nameprop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
PubChem CID118335456
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameprop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
SMILESC=CCOC(=O)CCCCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H20N2O4/c1-2-10-21-14(19)6-4-3-5-9-16-15(20)12-7-8-13(18)17-11-12/h2,7-8,11H,1,3-6,9-10H2,(H,16,20)(H,17,18)
InChIKeyHPDHLPMQPNLROI-UHFFFAOYSA-N
XLogP1.39
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The IUPAC name of prop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate (CID 118335456) is prop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate.
What is the SMILES notation for prop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The canonical SMILES for prop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate is C=CCOC(=O)CCCCCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of prop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The InChIKey is HPDHLPMQPNLROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-10-21-14(19)6-4-3-5-9-16-15(20)12-7-8-13(18)17-11-12/h2,7-8,11H,1,3-6,9-10H2,(H,16,20)(H,17,18).
What are the key properties of prop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
prop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate has a molecular weight of 292.34 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate is sourced from PubChem (CID 118335456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).