methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate

C13H18N2O4 — CID 43404632

IUPACmethyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H18N2O4/c1-19-12(17)5-3-2-4-8-14-13(18)10-6-7-11(16)15-9-10/h6-7,9H,2-5,8H2,1H3,(H,14,18)(H,15,16)
InChIKeyBEDHWCWVZJMXIP-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.84
Rot. Bonds7

About methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate

methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate (PubChem CID 43404632) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
PubChem CID43404632
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H18N2O4/c1-19-12(17)5-3-2-4-8-14-13(18)10-6-7-11(16)15-9-10/h6-7,9H,2-5,8H2,1H3,(H,14,18)(H,15,16)
InChIKeyBEDHWCWVZJMXIP-UHFFFAOYSA-N
XLogP0.84
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate 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 methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate (CID 43404632) is methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The InChIKey is BEDHWCWVZJMXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-12(17)5-3-2-4-8-14-13(18)10-6-7-11(16)15-9-10/h6-7,9H,2-5,8H2,1H3,(H,14,18)(H,15,16).
What are the key properties of methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate has a molecular weight of 266.30 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate is sourced from PubChem (CID 43404632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).