ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate

C14H15N3O3 — CID 141002177

IUPACethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc[nH]1)c1ccccn1
InChIInChI=1S/C14H15N3O3/c1-2-20-13(18)10-17(12-7-3-4-8-16-12)14(19)11-6-5-9-15-11/h3-9,15H,2,10H2,1H3
InChIKeyJGJLFJLDHXXRIC-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.62
Rot. Bonds5

About ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate

ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate (PubChem CID 141002177) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate
PubChem CID141002177
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nameethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc[nH]1)c1ccccn1
InChIInChI=1S/C14H15N3O3/c1-2-20-13(18)10-17(12-7-3-4-8-16-12)14(19)11-6-5-9-15-11/h3-9,15H,2,10H2,1H3
InChIKeyJGJLFJLDHXXRIC-UHFFFAOYSA-N
XLogP1.62
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3H-benzimidazole-5-carbonyl(pyridin-2-yl)amino]acetate;dihydrochloride
CID 141002162
ethyl 3-[benzoyl(pyridin-2-yl)amino]propanoate
CID 141002175
ethyl 3-[(2-aminobenzoyl)-pyridin-2-ylamino]propanoate
CID 141002217
ethyl 3-[(3-aminobenzoyl)-pyridin-2-ylamino]propanoate
CID 125300571
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
ethyl 3-[1H-imidazo[4,5-b]pyridine-5-carbonyl(pyridin-2-yl)amino]propanoate
CID 162221283
ethyl 3-[3H-benzimidazole-5-carbonyl(pyridin-2-yl)amino]propanoate;hydrochloride
CID 71258111
ethyl 3-oxo-3-(N-pyridin-2-ylanilino)propanoate
CID 135020038
ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
CID 54898857
ethyl 2-[ethyl-[2-oxo-2-(1H-pyrrole-2-carbonylamino)ethyl]amino]acetate
CID 62026376
ethyl 2-[methyl-(2-pyridin-2-ylacetyl)amino]acetate
CID 55003377
ethyl N-phenyl-N-pyridin-2-ylcarbamate
CID 2783435

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate (CID 141002177) is ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate is CCOC(=O)CN(C(=O)c1ccc[nH]1)c1ccccn1.
What is the InChIKey of ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate?
The InChIKey is JGJLFJLDHXXRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-20-13(18)10-17(12-7-3-4-8-16-12)14(19)11-6-5-9-15-11/h3-9,15H,2,10H2,1H3.
What are the key properties of ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate?
ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate has a molecular weight of 273.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[pyridin-2-yl(1H-pyrrole-2-carbonyl)amino]acetate is sourced from PubChem (CID 141002177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).