methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate

C12H15FN2O3 — CID 103633415

IUPACmethyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1ccnc(F)c1
InChIInChI=1S/C12H15FN2O3/c1-3-15(7-5-11(16)18-2)12(17)9-4-6-14-10(13)8-9/h4,6,8H,3,5,7H2,1-2H3
InChIKeyKAYDXGABWSHVGB-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.25
Rot. Bonds5

About methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate

methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate (PubChem CID 103633415) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate
PubChem CID103633415
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Namemethyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1ccnc(F)c1
InChIInChI=1S/C12H15FN2O3/c1-3-15(7-5-11(16)18-2)12(17)9-4-6-14-10(13)8-9/h4,6,8H,3,5,7H2,1-2H3
InChIKeyKAYDXGABWSHVGB-UHFFFAOYSA-N
XLogP1.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.25
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
methyl 3-[ethyl-(3-fluorobenzoyl)amino]propanoate
CID 54898552
N-ethyl-2-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61293621
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide
CID 61292713
methyl 3-[(3,4-dimethylbenzoyl)-ethylamino]propanoate
CID 54898933
N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
CID 61292893
ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate
CID 55007165
methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate
CID 61011016
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 61293810
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
CID 61292675
methyl 3-[(3,5-dimethoxybenzoyl)-ethylamino]propanoate
CID 61007489
methyl 3-[(2-bromopyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate
CID 103752528

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate (CID 103633415) is methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate is CCN(CCC(=O)OC)C(=O)c1ccnc(F)c1.
What is the InChIKey of methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate?
The InChIKey is KAYDXGABWSHVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-3-15(7-5-11(16)18-2)12(17)9-4-6-14-10(13)8-9/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate?
methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate has a molecular weight of 254.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(2-fluoropyridine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 103633415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).