6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide

C16H18FN3O2 — CID 174431002

IUPAC6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide
SMILESCC(C)(C)Nc1ccc(Oc2ccc(C(N)=O)cn2)c(F)c1
InChIInChI=1S/C16H18FN3O2/c1-16(2,3)20-11-5-6-13(12(17)8-11)22-14-7-4-10(9-19-14)15(18)21/h4-9,20H,1-3H3,(H2,18,21)
InChIKeyOTKWFSWOIHJXIL-UHFFFAOYSA-N
MW303.34 g/mol
LogP3.32
Rot. Bonds4

About 6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide

6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide (PubChem CID 174431002) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide
PubChem CID174431002
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide
SMILESCC(C)(C)Nc1ccc(Oc2ccc(C(N)=O)cn2)c(F)c1
InChIInChI=1S/C16H18FN3O2/c1-16(2,3)20-11-5-6-13(12(17)8-11)22-14-7-4-10(9-19-14)15(18)21/h4-9,20H,1-3H3,(H2,18,21)
InChIKeyOTKWFSWOIHJXIL-UHFFFAOYSA-N
XLogP3.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide
CID 68748468
methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate
CID 68524349
6-(4-formyl-2-methoxyphenoxy)pyridine-3-carboxamide
CID 59730016
6-[4-(2-aminoethyl)-2-methylphenoxy]pyridine-3-carboxamide
CID 59730260
6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid
CID 157386377
6-[4-(2-amino-1-cyclohexyl-5-methylhexan-2-yl)-2-fluorophenoxy]pyridine-3-carboxamide
CID 174451267
ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943
6-(3-amino-4-methoxyphenoxy)pyridine-3-carboxamide
CID 103202001
6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 59730099
6-(3,4,5-trimethoxyphenoxy)pyridine-3-carboxamide
CID 69475423
(2S)-2-amino-N-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylpentanamide
CID 119887717
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748

Frequently Asked Questions

What is the IUPAC name of 6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide (CID 174431002) is 6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide is CC(C)(C)Nc1ccc(Oc2ccc(C(N)=O)cn2)c(F)c1.
What is the InChIKey of 6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide?
The InChIKey is OTKWFSWOIHJXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-16(2,3)20-11-5-6-13(12(17)8-11)22-14-7-4-10(9-19-14)15(18)21/h4-9,20H,1-3H3,(H2,18,21).
What are the key properties of 6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide?
6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 174431002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).