ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate

C12H15FN2O3 — CID 115694518

IUPACethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1cncc(F)c1
InChIInChI=1S/C12H15FN2O3/c1-2-18-11(16)4-3-5-15-12(17)9-6-10(13)8-14-7-9/h6-8H,2-5H2,1H3,(H,15,17)
InChIKeyGGYYHQNUEBLFEP-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.29
Rot. Bonds6

About ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate

ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate (PubChem CID 115694518) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate
PubChem CID115694518
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Nameethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1cncc(F)c1
InChIInChI=1S/C12H15FN2O3/c1-2-18-11(16)4-3-5-15-12(17)9-6-10(13)8-14-7-9/h6-8H,2-5H2,1H3,(H,15,17)
InChIKeyGGYYHQNUEBLFEP-UHFFFAOYSA-N
XLogP1.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694530
ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate
CID 60788161
ethyl 4-[(2,4,6-trifluorobenzoyl)amino]butanoate
CID 65100634
ethyl 4-[(4-fluoro-2-methylbenzoyl)amino]butanoate
CID 112702353
ethyl 4-[(3,4-dimethylbenzoyl)amino]butanoate
CID 60637398
5-fluoro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115694724
ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate
CID 103186993
ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
ethyl 4-[(3-chloro-2-fluorobenzoyl)amino]butanoate
CID 80979995
ethyl 4-[(3-chloro-5-methylbenzoyl)amino]butanoate
CID 80980209
[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2605977

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate (CID 115694518) is ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1cncc(F)c1.
What is the InChIKey of ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate?
The InChIKey is GGYYHQNUEBLFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-2-18-11(16)4-3-5-15-12(17)9-6-10(13)8-14-7-9/h6-8H,2-5H2,1H3,(H,15,17).
What are the key properties of ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate?
ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate has a molecular weight of 254.26 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 115694518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).