ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate

C13H17FN2O3 — CID 55007165

IUPACethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1ccnc(F)c1
InChIInChI=1S/C13H17FN2O3/c1-3-7-16(9-12(17)19-4-2)13(18)10-5-6-15-11(14)8-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyYVEYCQGTCAFZOM-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.64
Rot. Bonds6

About ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate

ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate (PubChem CID 55007165) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate
PubChem CID55007165
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Nameethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1ccnc(F)c1
InChIInChI=1S/C13H17FN2O3/c1-3-7-16(9-12(17)19-4-2)13(18)10-5-6-15-11(14)8-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyYVEYCQGTCAFZOM-UHFFFAOYSA-N
XLogP1.64
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide
CID 103101741
2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide
CID 61292713
ethyl 2-[1,3-benzothiazole-6-carbonyl(propyl)amino]acetate
CID 61012902
methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate
CID 103633415
ethyl 2-[(3-chloro-4-iodobenzoyl)-propylamino]acetate
CID 103736240
ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
CID 54898857
2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
CID 113277709
ethyl 2-[(1-ethylbenzotriazole-5-carbonyl)-propylamino]acetate
CID 78902105
N-ethyl-2-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61293621
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 61293810

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate (CID 55007165) is ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)c1ccnc(F)c1.
What is the InChIKey of ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate?
The InChIKey is YVEYCQGTCAFZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-3-7-16(9-12(17)19-4-2)13(18)10-5-6-15-11(14)8-10/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate?
ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate has a molecular weight of 268.29 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate is sourced from PubChem (CID 55007165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).