6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

C21H20FN3O4 — CID 66799767

IUPAC6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(NC(CO)CO)n1
InChIInChI=1S/C21H20FN3O4/c22-15-3-7-18(8-4-15)29-17-5-1-13(2-6-17)14-9-19(21(23)28)25-20(10-14)24-16(11-26)12-27/h1-10,16,26-27H,11-12H2,(H2,23,28)(H,24,25)
InChIKeyWIUODOVDYLDJRL-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.54
Rot. Bonds8

About 6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide

6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (PubChem CID 66799767) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
PubChem CID66799767
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(NC(CO)CO)n1
InChIInChI=1S/C21H20FN3O4/c22-15-3-7-18(8-4-15)29-17-5-1-13(2-6-17)14-9-19(21(23)28)25-20(10-14)24-16(11-26)12-27/h1-10,16,26-27H,11-12H2,(H2,23,28)(H,24,25)
InChIKeyWIUODOVDYLDJRL-UHFFFAOYSA-N
XLogP2.54
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide (CID 66799767) is 6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(NC(CO)CO)n1.
What is the InChIKey of 6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is WIUODOVDYLDJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c22-15-3-7-18(8-4-15)29-17-5-1-13(2-6-17)14-9-19(21(23)28)25-20(10-14)24-16(11-26)12-27/h1-10,16,26-27H,11-12H2,(H2,23,28)(H,24,25).
What are the key properties of 6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide?
6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 2.54, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroxypropan-2-ylamino)-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 66799767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).