methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate

C19H26N2O3 — CID 3710858

IUPACmethyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate
SMILESCCCCC#Cc1cncc(C(=O)NCCCCCC(=O)OC)c1
InChIInChI=1S/C19H26N2O3/c1-3-4-5-7-10-16-13-17(15-20-14-16)19(23)21-12-9-6-8-11-18(22)24-2/h13-15H,3-6,8-9,11-12H2,1-2H3,(H,21,23)
InChIKeyXIZLVJJMAALOJE-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.09
Rot. Bonds9

About methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate

methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate (PubChem CID 3710858) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate
PubChem CID3710858
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namemethyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate
SMILESCCCCC#Cc1cncc(C(=O)NCCCCCC(=O)OC)c1
InChIInChI=1S/C19H26N2O3/c1-3-4-5-7-10-16-13-17(15-20-14-16)19(23)21-12-9-6-8-11-18(22)24-2/h13-15H,3-6,8-9,11-12H2,1-2H3,(H,21,23)
InChIKeyXIZLVJJMAALOJE-UHFFFAOYSA-N
XLogP3.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide
CID 3852765
5-(4-hydroxybut-1-ynyl)-N-propylpyridine-3-carboxamide
CID 54974842
methyl 2-[[5-(3-aminoprop-1-ynyl)pyridine-3-carbonyl]amino]acetate
CID 54974362
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-5-hex-1-ynylpyridine-3-carboxamide
CID 3676682
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 5006622
5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
CID 106342053
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide
CID 74227684
N-(3-amino-3-oxopropyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54974696
5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 104764922

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate (CID 3710858) is methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate is CCCCC#Cc1cncc(C(=O)NCCCCCC(=O)OC)c1.
What is the InChIKey of methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate?
The InChIKey is XIZLVJJMAALOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-4-5-7-10-16-13-17(15-20-14-16)19(23)21-12-9-6-8-11-18(22)24-2/h13-15H,3-6,8-9,11-12H2,1-2H3,(H,21,23).
What are the key properties of methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate?
methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate has a molecular weight of 330.43 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate is sourced from PubChem (CID 3710858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).