ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate

C10H12ClN3O3 — CID 134101188

IUPACethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H12ClN3O3/c1-2-17-9(15)6-13-10(16)14-7-3-4-12-8(11)5-7/h3-5H,2,6H2,1H3,(H2,12,13,14,16)
InChIKeyUDGOHIPKCHCOFH-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.42
Rot. Bonds4

About ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate

ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate (PubChem CID 134101188) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate
PubChem CID134101188
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Nameethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H12ClN3O3/c1-2-17-9(15)6-13-10(16)14-7-3-4-12-8(11)5-7/h3-5H,2,6H2,1H3,(H2,12,13,14,16)
InChIKeyUDGOHIPKCHCOFH-UHFFFAOYSA-N
XLogP1.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-pyridinyl)-3-(2-methylpropyl)urea
CID 14625226
1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea
CID 14625252
ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426
1-(2-chloro-4-pyridinyl)-3-(3-methoxypropyl)urea
CID 134098121
ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate
CID 62813455
ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate
CID 43385057
ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
CID 60706555
ethyl 2-(pyrimidin-5-ylcarbamoylamino)acetate
CID 107589554
ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
CID 102824081
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
CID 43385028
ethyl 2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetate
CID 43385059
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate (CID 134101188) is ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1ccnc(Cl)c1.
What is the InChIKey of ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate?
The InChIKey is UDGOHIPKCHCOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-2-17-9(15)6-13-10(16)14-7-3-4-12-8(11)5-7/h3-5H,2,6H2,1H3,(H2,12,13,14,16).
What are the key properties of ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate?
ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate has a molecular weight of 257.68 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate is sourced from PubChem (CID 134101188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).