5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide

C21H20FN3O2 — CID 109198899

IUPAC5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccc(Nc3ccccc3F)cn2)cc1
InChIInChI=1S/C21H20FN3O2/c1-14(2)27-17-10-7-15(8-11-17)25-21(26)20-12-9-16(13-23-20)24-19-6-4-3-5-18(19)22/h3-14,24H,1-2H3,(H,25,26)
InChIKeyGIFNNLGOFUPGED-UHFFFAOYSA-N
MW365.41 g/mol
LogP5.00
Rot. Bonds6

About 5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide

5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 109198899) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
PubChem CID109198899
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2ccc(Nc3ccccc3F)cn2)cc1
InChIInChI=1S/C21H20FN3O2/c1-14(2)27-17-10-7-15(8-11-17)25-21(26)20-12-9-16(13-23-20)24-19-6-4-3-5-18(19)22/h3-14,24H,1-2H3,(H,25,26)
InChIKeyGIFNNLGOFUPGED-UHFFFAOYSA-N
XLogP5.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.41
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-5-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109198964
N-(4-acetylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198907
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198647
2-N-(2-fluorophenyl)-4-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109092654
5-(2-fluoroanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188905
N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109195085
5-(2-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183927
6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128356
N-(2,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109197955
N-(2,4-dichlorophenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198930
5-(2,6-dichloroanilino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109198867
methyl 2-[[6-[(4-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199882

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide (CID 109198899) is 5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide is CC(C)Oc1ccc(NC(=O)c2ccc(Nc3ccccc3F)cn2)cc1.
What is the InChIKey of 5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is GIFNNLGOFUPGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14(2)27-17-10-7-15(8-11-17)25-21(26)20-12-9-16(13-23-20)24-19-6-4-3-5-18(19)22/h3-14,24H,1-2H3,(H,25,26).
What are the key properties of 5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109198899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).