methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate

C15H22N2O4 — CID 43623228

IUPACmethyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C15H22N2O4/c1-10-9-11(2)17-15(20)13(10)14(19)16-8-6-4-5-7-12(18)21-3/h9H,4-8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyBFCZJXRTIMCQLZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.45
Rot. Bonds7

About methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate

methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate (PubChem CID 43623228) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
PubChem CID43623228
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C15H22N2O4/c1-10-9-11(2)17-15(20)13(10)14(19)16-8-6-4-5-7-12(18)21-3/h9H,4-8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyBFCZJXRTIMCQLZ-UHFFFAOYSA-N
XLogP1.45
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate (CID 43623228) is methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1c(C)cc(C)[nH]c1=O.
What is the InChIKey of methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The InChIKey is BFCZJXRTIMCQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-9-11(2)17-15(20)13(10)14(19)16-8-6-4-5-7-12(18)21-3/h9H,4-8H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate has a molecular weight of 294.35 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate is sourced from PubChem (CID 43623228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).