4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide

C14H14FN3O4 — CID 91282385

IUPAC4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide
SMILESCC(O)(O)NC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1
InChIInChI=1S/C14H14FN3O4/c1-14(20,21)18-13(19)12-7-9(4-5-17-12)22-8-2-3-11(16)10(15)6-8/h2-7,20-21H,16H2,1H3,(H,18,19)
InChIKeyQELDTQDUTZUXLQ-UHFFFAOYSA-N
MW307.28 g/mol
LogP0.98
Rot. Bonds4

About 4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide

4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide (PubChem CID 91282385) has the molecular formula C14H14FN3O4 and a molecular weight of 307.28 g/mol. Its IUPAC name is 4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide
PubChem CID91282385
Molecular FormulaC14H14FN3O4
Molecular Weight307.28 g/mol
Exact Mass307.10
IUPAC Name4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide
SMILESCC(O)(O)NC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1
InChIInChI=1S/C14H14FN3O4/c1-14(20,21)18-13(19)12-7-9(4-5-17-12)22-8-2-3-11(16)10(15)6-8/h2-7,20-21H,16H2,1H3,(H,18,19)
InChIKeyQELDTQDUTZUXLQ-UHFFFAOYSA-N
XLogP0.98
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
CID 89129780
4-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-N-methylpyridine-2-carboxamide
CID 140761252
methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate
CID 59987507
methyl 4-(3-fluoro-4-nitrophenoxy)pyridine-2-carboxylate
CID 23153479
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
[4-[4-(4-amino-3-fluorophenoxy)-2-pyridinyl]triazol-1-yl]methyl 2,2-dimethylpropanoate
CID 67399290
4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide
CID 57470879
4-[4-[[4-chloro-3-(trifluoromethyl)anilino]methylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 161220233
N-ethyl-N-[2-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 163197251
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide (CID 91282385) is 4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide is CC(O)(O)NC(=O)c1cc(Oc2ccc(N)c(F)c2)ccn1.
What is the InChIKey of 4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide?
The InChIKey is QELDTQDUTZUXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O4/c1-14(20,21)18-13(19)12-7-9(4-5-17-12)22-8-2-3-11(16)10(15)6-8/h2-7,20-21H,16H2,1H3,(H,18,19).
What are the key properties of 4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide?
4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide has a molecular weight of 307.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 91282385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).