N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate

C19H24FN3O4 — CID 172856144

IUPACN-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate
SMILESCC(=O)ONC(=O)c1ncc(-c2cccc(F)c2)cc1O.CCN(C)CC
InChIInChI=1S/C14H11FN2O4.C5H13N/c1-8(18)21-17-14(20)13-12(19)6-10(7-16-13)9-3-2-4-11(15)5-9;1-4-6(3)5-2/h2-7,19H,1H3,(H,17,20);4-5H2,1-3H3
InChIKeyYSRYCHAVFUKROH-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.76
Rot. Bonds4

About N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate

N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate (PubChem CID 172856144) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate.

Molecular Properties

Compound NameN-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate
PubChem CID172856144
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC NameN-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate
SMILESCC(=O)ONC(=O)c1ncc(-c2cccc(F)c2)cc1O.CCN(C)CC
InChIInChI=1S/C14H11FN2O4.C5H13N/c1-8(18)21-17-14(20)13-12(19)6-10(7-16-13)9-3-2-4-11(15)5-9;1-4-6(3)5-2/h2-7,19H,1H3,(H,17,20);4-5H2,1-3H3
InChIKeyYSRYCHAVFUKROH-UHFFFAOYSA-N
XLogP2.76
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[bis(2-hydroxyethyl)amino]ethanol;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate
CID 172862946
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]butanoic acid
CID 71093055
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118266893
potassium 2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 71491831
5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71087940
ethyl 4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoate
CID 157404899
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide
CID 158403612
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
CID 160943915
CID 145160317
CID 145160317
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetate;2-hydroxyethylazanium
CID 140602466
2-[deuterio-[3-deuteriooxy-5-(3-fluorophenyl)pyridine-2-carbonyl]amino]acetic acid
CID 140848116
1-[3-amino-5-(3-fluorophenyl)-2-pyridinyl]-2-methylpropan-1-one
CID 176580025

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate?
The IUPAC name of N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate (CID 172856144) is N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate.
What is the SMILES notation for N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate?
The canonical SMILES for N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate is CC(=O)ONC(=O)c1ncc(-c2cccc(F)c2)cc1O.CCN(C)CC.
What is the InChIKey of N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate?
The InChIKey is YSRYCHAVFUKROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4.C5H13N/c1-8(18)21-17-14(20)13-12(19)6-10(7-16-13)9-3-2-4-11(15)5-9;1-4-6(3)5-2/h2-7,19H,1H3,(H,17,20);4-5H2,1-3H3.
What are the key properties of N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate?
N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate has a molecular weight of 377.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylethanamine;[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino] acetate is sourced from PubChem (CID 172856144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).