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

C13H18N2O4 — CID 31842152

IUPACmethyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O4/c1-19-11(16)7-3-2-4-8-14-12(17)10-6-5-9-15-13(10)18/h5-6,9H,2-4,7-8H2,1H3,(H,14,17)(H,15,18)
InChIKeyVKYMVJQELZTKPG-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.84
Rot. Bonds7

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

methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate (PubChem CID 31842152) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
PubChem CID31842152
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O4/c1-19-11(16)7-3-2-4-8-14-12(17)10-6-5-9-15-13(10)18/h5-6,9H,2-4,7-8H2,1H3,(H,14,17)(H,15,18)
InChIKeyVKYMVJQELZTKPG-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'}

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Related Compounds

N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 43600703
methyl 4-(1H-indole-4-carbonylamino)butanoate
CID 60864608
methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate
CID 82786633
methyl 6-[(2-nitrobenzoyl)amino]hexanoate
CID 31839179
methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
CID 78951048
methyl 6-[(2-bromopyridine-3-carbonyl)amino]hexanoate
CID 113255495
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789
methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate
CID 75436256
(2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 107820528
methyl 6-[[2-[(2-iodobenzoyl)amino]acetyl]amino]hexanoate
CID 31840801
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid
CID 60662850

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate (CID 31842152) is methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1ccc[nH]c1=O.
What is the InChIKey of methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The InChIKey is VKYMVJQELZTKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-11(16)7-3-2-4-8-14-12(17)10-6-5-9-15-13(10)18/h5-6,9H,2-4,7-8H2,1H3,(H,14,17)(H,15,18).
What are the key properties of methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
methyl 6-[(2-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-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate is sourced from PubChem (CID 31842152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).