2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide

C18H15FN2O2S — CID 18734933

IUPAC2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H15FN2O2S/c1-12(16-5-3-11-24-16)21-17(22)15-4-2-10-20-18(15)23-14-8-6-13(19)7-9-14/h2-12H,1H3,(H,21,22)/t12-/m1/s1
InChIKeyLRQBXHMVEXEFBO-GFCCVEGCSA-N
MW342.40 g/mol
LogP4.57
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide

2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide (PubChem CID 18734933) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
PubChem CID18734933
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H15FN2O2S/c1-12(16-5-3-11-24-16)21-17(22)15-4-2-10-20-18(15)23-14-8-6-13(19)7-9-14/h2-12H,1H3,(H,21,22)/t12-/m1/s1
InChIKeyLRQBXHMVEXEFBO-GFCCVEGCSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2364069
2-ethoxy-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide
CID 2517314
N-{6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}-2-thiophenecarboxamide
CID 2814188
2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 14555282
3-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 23093997
5-[[3-(Thiophene-2-carbonylamino)phenyl]methoxy]pyridine-3-carboxamide
CID 124156582
N-(4-fluorophenyl)-2-phenoxypyridine-3-carboxamide
CID 2797676
6-[4-[(2-Thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide
CID 68746483
N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 1172886
N-[(Z)-3-(4-methoxyanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide
CID 1919175
N-[2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-2-ethoxypyridine-3-carboxamide
CID 2079602
N-(2-ethoxybenzyl)-1-{[3-(1H-pyrrol-1-yl)thien-2-yl]carbonyl}piperidine-4-carboxamide
CID 3241449

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide (CID 18734933) is 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1)c1cccs1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide?
The InChIKey is LRQBXHMVEXEFBO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-12(16-5-3-11-24-16)21-17(22)15-4-2-10-20-18(15)23-14-8-6-13(19)7-9-14/h2-12H,1H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide?
2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 18734933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).