2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate

C9H10ClN3O3 — CID 83210511

IUPAC2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C9H10ClN3O3/c10-7-3-1-2-6(13-7)8(14)12-4-5-16-9(11)15/h1-3H,4-5H2,(H2,11,15)(H,12,14)
InChIKeyUDFNTFNZASRZJQ-UHFFFAOYSA-N
MW243.65 g/mol
LogP0.56
Rot. Bonds4

About 2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate

2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate (PubChem CID 83210511) has the molecular formula C9H10ClN3O3 and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate
PubChem CID83210511
Molecular FormulaC9H10ClN3O3
Molecular Weight243.65 g/mol
Exact Mass243.04
IUPAC Name2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C9H10ClN3O3/c10-7-3-1-2-6(13-7)8(14)12-4-5-16-9(11)15/h1-3H,4-5H2,(H2,11,15)(H,12,14)
InChIKeyUDFNTFNZASRZJQ-UHFFFAOYSA-N
XLogP0.56
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 50.56
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)-6-chloropyridine-2-carboxamide
CID 62234709
6-chloro-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 62234708
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
6-chloro-N-(3-ethenoxypropyl)pyridine-2-carboxamide
CID 62233139
methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
CID 62233867
6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide
CID 62234046
6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
CID 84580412
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115635837
6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284925
6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 62233137
6-chloro-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 55052305

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate?
The IUPAC name of 2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate (CID 83210511) is 2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate is NC(=O)OCCNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate?
The InChIKey is UDFNTFNZASRZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3/c10-7-3-1-2-6(13-7)8(14)12-4-5-16-9(11)15/h1-3H,4-5H2,(H2,11,15)(H,12,14).
What are the key properties of 2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate?
2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate has a molecular weight of 243.65 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate is sourced from PubChem (CID 83210511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).