methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate

C14H20N2O3 — CID 78951048

IUPACmethyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cccnc1C
InChIInChI=1S/C14H20N2O3/c1-11-12(7-6-10-15-11)14(18)16-9-5-3-4-8-13(17)19-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,18)
InChIKeyBBDYOZZVJXPPHX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.85
Rot. Bonds7

About methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate

methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate (PubChem CID 78951048) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
PubChem CID78951048
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cccnc1C
InChIInChI=1S/C14H20N2O3/c1-11-12(7-6-10-15-11)14(18)16-9-5-3-4-8-13(17)19-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,18)
InChIKeyBBDYOZZVJXPPHX-UHFFFAOYSA-N
XLogP1.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792
methyl 6-[(2-bromopyridine-3-carbonyl)amino]hexanoate
CID 113255495
methyl 6-[(2-methylsulfanylpyridine-3-carbonyl)amino]hexanoate
CID 31839789
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate
CID 82786633
methyl 6-[(2-methyl-3-nitrobenzoyl)amino]hexanoate
CID 31541051
N-(4-azidobutyl)-2-methylpyridine-3-carboxamide
CID 106386346
methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
CID 103871236
methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
CID 31842152
methyl 6-[(2-nitrobenzoyl)amino]hexanoate
CID 31839179
2-methyl-5-[(2-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 113440647
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate (CID 78951048) is methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1cccnc1C.
What is the InChIKey of methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate?
The InChIKey is BBDYOZZVJXPPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-12(7-6-10-15-11)14(18)16-9-5-3-4-8-13(17)19-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,18).
What are the key properties of methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate?
methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate has a molecular weight of 264.32 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-methylpyridine-3-carbonyl)amino]hexanoate is sourced from PubChem (CID 78951048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).