2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate

C10H11Cl2N3O3 — CID 155072068

IUPAC2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H11Cl2N3O3/c1-13-10(17)18-5-4-14-9(16)6-2-3-7(11)15-8(6)12/h2-3H,4-5H2,1H3,(H,13,17)(H,14,16)
InChIKeyXFVYNVMVGQYEGI-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.47
Rot. Bonds4

About 2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate

2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate (PubChem CID 155072068) has the molecular formula C10H11Cl2N3O3 and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate
PubChem CID155072068
Molecular FormulaC10H11Cl2N3O3
Molecular Weight292.12 g/mol
Exact Mass291.02
IUPAC Name2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H11Cl2N3O3/c1-13-10(17)18-5-4-14-9(16)6-2-3-7(11)15-8(6)12/h2-3H,4-5H2,1H3,(H,13,17)(H,14,16)
InChIKeyXFVYNVMVGQYEGI-UHFFFAOYSA-N
XLogP1.47
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.47
H-Bond Donors ≤ 52
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

N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide
CID 114127211
N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide
CID 106993576
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide
CID 106993547
2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393
2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 106993258
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483
2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
CID 139467608
2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 106993526
2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113230361

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate?
The IUPAC name of 2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate (CID 155072068) is 2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate?
The canonical SMILES for 2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate is CNC(=O)OCCNC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate?
The InChIKey is XFVYNVMVGQYEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O3/c1-13-10(17)18-5-4-14-9(16)6-2-3-7(11)15-8(6)12/h2-3H,4-5H2,1H3,(H,13,17)(H,14,16).
What are the key properties of 2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate?
2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate has a molecular weight of 292.12 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate is sourced from PubChem (CID 155072068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).