5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide

C21H16F2N2O3 — CID 89207946

IUPAC5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C=O)cc1
InChIInChI=1S/C21H16F2N2O3/c1-13(15-4-2-14(12-26)3-5-15)25-20(27)19-10-17(23)11-24-21(19)28-18-8-6-16(22)7-9-18/h2-13H,1H3,(H,25,27)/t13-/m0/s1
InChIKeyJPDSSQNFJFVVJL-ZDUSSCGKSA-N
MW382.37 g/mol
LogP4.46
Rot. Bonds6

About 5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide

5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 89207946) has the molecular formula C21H16F2N2O3 and a molecular weight of 382.37 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID89207946
Molecular FormulaC21H16F2N2O3
Molecular Weight382.37 g/mol
Exact Mass382.11
IUPAC Name5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C=O)cc1
InChIInChI=1S/C21H16F2N2O3/c1-13(15-4-2-14(12-26)3-5-15)25-20(27)19-10-17(23)11-24-21(19)28-18-8-6-16(22)7-9-18/h2-13H,1H3,(H,25,27)/t13-/m0/s1
InChIKeyJPDSSQNFJFVVJL-ZDUSSCGKSA-N
XLogP4.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(4-fluorophenoxy)-N-methylpyridine-3-carboxamide
CID 142274034
1-[5-fluoro-2-(4-fluorophenoxy)-3-pyridinyl]ethanone
CID 142274002
4-[(1S)-1-[[5-chloro-2-(3,4-difluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 11697738
5-chloro-2-(4-fluorophenoxy)-N-[(1S)-1-[4-[(3-methylphenyl)sulfonylcarbamoyl]phenyl]ethyl]pyridine-3-carboxamide
CID 58905362
5-chloro-2-(4-fluorophenoxy)-N-[(1S)-1-[4-[(3-methoxyphenyl)sulfonylcarbamoyl]phenyl]ethyl]pyridine-3-carboxamide
CID 58905321
4-[(1S)-1-[[5-chloro-2-(4-chloro-3-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 11539652
methyl 4-[(1S)-1-[(5-chloro-2-phenoxypyridine-3-carbonyl)amino]ethyl]benzoate
CID 69417840
5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxylic acid;methyl 4-(1-aminopropyl)benzoate;methyl 4-[1-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]propyl]benzoate
CID 161298035
2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 114918156
4-[1-[[2-[(4-chlorophenoxy)methyl]-5-fluoropyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 75290936
[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride
CID 159167467
2-(4-fluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 18734935

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide (CID 89207946) is 5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide is C[C@H](NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C=O)cc1.
What is the InChIKey of 5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is JPDSSQNFJFVVJL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H16F2N2O3/c1-13(15-4-2-14(12-26)3-5-15)25-20(27)19-10-17(23)11-24-21(19)28-18-8-6-16(22)7-9-18/h2-13H,1H3,(H,25,27)/t13-/m0/s1.
What are the key properties of 5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide?
5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluorophenoxy)-N-[(1S)-1-(4-formylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 89207946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).