ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate

C13H18N2O3 — CID 54898857

IUPACethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1ccccn1
InChIInChI=1S/C13H18N2O3/c1-3-9-15(10-12(16)18-4-2)13(17)11-7-5-6-8-14-11/h5-8H,3-4,9-10H2,1-2H3
InChIKeyRDUAAOPOPJDNNM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.50
Rot. Bonds6

About ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate

ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate (PubChem CID 54898857) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
PubChem CID54898857
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1ccccn1
InChIInChI=1S/C13H18N2O3/c1-3-9-15(10-12(16)18-4-2)13(17)11-7-5-6-8-14-11/h5-8H,3-4,9-10H2,1-2H3
InChIKeyRDUAAOPOPJDNNM-UHFFFAOYSA-N
XLogP1.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-propylamino]acetate
CID 54898620
ethyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)-propylamino]acetate
CID 61007860
ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
CID 62615904
ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate
CID 55007165
ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
CID 88995509
ethyl 2-[3-phenylprop-2-ynoyl(propyl)amino]acetate
CID 61008491
ethyl pyridine-2-carboxylate
CID 17307
ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate
CID 88995427
ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate
CID 54898758
ethyl 3-hydroxy-2-[methoxy(pyridine-2-carbonyl)amino]propanoate
CID 88995371
ethyl 3-ethoxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
CID 88995426

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate (CID 54898857) is ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate is CCCN(CC(=O)OCC)C(=O)c1ccccn1.
What is the InChIKey of ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate?
The InChIKey is RDUAAOPOPJDNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-9-15(10-12(16)18-4-2)13(17)11-7-5-6-8-14-11/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate?
ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate has a molecular weight of 250.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 54898857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).