methyl 6-(pyridine-4-carbonylamino)hexanoate

C13H18N2O3 — CID 39070425

IUPACmethyl 6-(pyridine-4-carbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccncc1
InChIInChI=1S/C13H18N2O3/c1-18-12(16)5-3-2-4-8-15-13(17)11-6-9-14-10-7-11/h6-7,9-10H,2-5,8H2,1H3,(H,15,17)
InChIKeyJZIBABRJAMXTDX-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.54
Rot. Bonds7

About methyl 6-(pyridine-4-carbonylamino)hexanoate

methyl 6-(pyridine-4-carbonylamino)hexanoate (PubChem CID 39070425) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 6-(pyridine-4-carbonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(pyridine-4-carbonylamino)hexanoate
PubChem CID39070425
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 6-(pyridine-4-carbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccncc1
InChIInChI=1S/C13H18N2O3/c1-18-12(16)5-3-2-4-8-15-13(17)11-6-9-14-10-7-11/h6-7,9-10H,2-5,8H2,1H3,(H,15,17)
InChIKeyJZIBABRJAMXTDX-UHFFFAOYSA-N
XLogP1.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.54
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 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
N-hexylpyridine-4-carboxamide
CID 3423732
methyl 6-[(4-chloropyridine-3-carbonyl)amino]hexanoate
CID 103871236
N-pentylpyridine-4-carboxamide
CID 2307296
methyl 4-benzamidobutanoate
CID 13197711
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate
CID 25181352
N-butylpyridine-4-carboxamide
CID 5030535
methyl 6-[(2-pyridin-4-ylsulfanylacetyl)amino]hexanoate
CID 43404633
methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate
CID 30853271
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
N-(4-aminooxybutyl)pyridine-4-carboxamide
CID 139932357

Frequently Asked Questions

What is the IUPAC name of methyl 6-(pyridine-4-carbonylamino)hexanoate?
The IUPAC name of methyl 6-(pyridine-4-carbonylamino)hexanoate (CID 39070425) is methyl 6-(pyridine-4-carbonylamino)hexanoate.
What is the SMILES notation for methyl 6-(pyridine-4-carbonylamino)hexanoate?
The canonical SMILES for methyl 6-(pyridine-4-carbonylamino)hexanoate is COC(=O)CCCCCNC(=O)c1ccncc1.
What is the InChIKey of methyl 6-(pyridine-4-carbonylamino)hexanoate?
The InChIKey is JZIBABRJAMXTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-12(16)5-3-2-4-8-15-13(17)11-6-9-14-10-7-11/h6-7,9-10H,2-5,8H2,1H3,(H,15,17).
What are the key properties of methyl 6-(pyridine-4-carbonylamino)hexanoate?
methyl 6-(pyridine-4-carbonylamino)hexanoate has a molecular weight of 250.30 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(pyridine-4-carbonylamino)hexanoate is sourced from PubChem (CID 39070425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).