methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate

C13H16Cl2N2O3 — CID 103605118

IUPACmethyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3/c1-20-12(18)5-3-2-4-6-16-13(19)9-7-10(14)17-11(15)8-9/h7-8H,2-6H2,1H3,(H,16,19)
InChIKeyBJUBILVDDJEUAP-UHFFFAOYSA-N
MW319.19 g/mol
LogP2.85
Rot. Bonds7

About methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate

methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate (PubChem CID 103605118) has the molecular formula C13H16Cl2N2O3 and a molecular weight of 319.19 g/mol. Its IUPAC name is methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
PubChem CID103605118
Molecular FormulaC13H16Cl2N2O3
Molecular Weight319.19 g/mol
Exact Mass318.05
IUPAC Namemethyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C13H16Cl2N2O3/c1-20-12(18)5-3-2-4-6-16-13(19)9-7-10(14)17-11(15)8-9/h7-8H,2-6H2,1H3,(H,16,19)
InChIKeyBJUBILVDDJEUAP-UHFFFAOYSA-N
XLogP2.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379816
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
methyl 6-[(3-bromo-4-chlorobenzoyl)amino]hexanoate
CID 103841612
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819
N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 104955488
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
N-(5-amino-5-oxopentyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 114162817
methyl 6-(1H-indazole-6-carbonylamino)hexanoate
CID 43423425

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate (CID 103605118) is methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate?
The InChIKey is BJUBILVDDJEUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O3/c1-20-12(18)5-3-2-4-6-16-13(19)9-7-10(14)17-11(15)8-9/h7-8H,2-6H2,1H3,(H,16,19).
What are the key properties of methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate?
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate has a molecular weight of 319.19 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate is sourced from PubChem (CID 103605118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).