[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate

C13H11ClN2O4 — CID 2362869

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Cl)NCc1ccco1
InChIInChI=1S/C13H11ClN2O4/c14-12-10(4-1-5-15-12)13(18)20-8-11(17)16-7-9-3-2-6-19-9/h1-6H,7-8H2,(H,16,17)
InChIKeyDXGASSQCHDILPZ-UHFFFAOYSA-N
MW294.69 g/mol
LogP1.80
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate (PubChem CID 2362869) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
PubChem CID2362869
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Cl)NCc1ccco1
InChIInChI=1S/C13H11ClN2O4/c14-12-10(4-1-5-15-12)13(18)20-8-11(17)16-7-9-3-2-6-19-9/h1-6H,7-8H2,(H,16,17)
InChIKeyDXGASSQCHDILPZ-UHFFFAOYSA-N
XLogP1.80
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Picafibrate
CID 68773
6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 2090615
{[2-(Difluoromethoxy)phenyl]carbamoyl}methyl 6-chloropyridine-3-carboxylate
CID 2395390
Methyl 2-[2-(6-chloropyridine-3-carbonyloxy)acetamido]acetate
CID 2423776
Ethyl 2-({[2-(4-chlorophenoxy)-3-pyridyl]carbonyl}amino)acetate
CID 2801062
(2-Furylmethyl)(3-pyridinylmethyl)amine hydrochloride
CID 2815908
{[(Oxolan-2-yl)methyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
CID 4425190
2,6-dichloro-N-[(furan-2-yl)methyl]pyridine-4-carboxamide
CID 9167591
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2352626
Acetic acid [(furan-2-ylmethyl)-carbamoyl]-pyridin-3-yl-methyl ester
CID 655310
[4-(Furan-2-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 695007
N-(4-chloro-2-{[(3-pyridinylmethyl)amino]carbonyl}phenyl)-2-furamide
CID 1041658

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate (CID 2362869) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate is O=C(COC(=O)c1cccnc1Cl)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
The InChIKey is DXGASSQCHDILPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c14-12-10(4-1-5-15-12)13(18)20-8-11(17)16-7-9-3-2-6-19-9/h1-6H,7-8H2,(H,16,17).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate has a molecular weight of 294.69 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 2362869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).