N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide

C24H24FN3O3 — CID 21109679

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide
SMILESCC(O)(CNC(=O)c1cnc(OCc2cccnc2)c(-c2ccc(F)cc2)c1)C1CC1
InChIInChI=1S/C24H24FN3O3/c1-24(30,19-6-7-19)15-28-22(29)18-11-21(17-4-8-20(25)9-5-17)23(27-13-18)31-14-16-3-2-10-26-12-16/h2-5,8-13,19,30H,6-7,14-15H2,1H3,(H,28,29)
InChIKeyCOFGOQPSEGWFAU-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.75
Rot. Bonds8

About N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide

N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide (PubChem CID 21109679) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide
PubChem CID21109679
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide
SMILESCC(O)(CNC(=O)c1cnc(OCc2cccnc2)c(-c2ccc(F)cc2)c1)C1CC1
InChIInChI=1S/C24H24FN3O3/c1-24(30,19-6-7-19)15-28-22(29)18-11-21(17-4-8-20(25)9-5-17)23(27-13-18)31-14-16-3-2-10-26-12-16/h2-5,8-13,19,30H,6-7,14-15H2,1H3,(H,28,29)
InChIKeyCOFGOQPSEGWFAU-UHFFFAOYSA-N
XLogP3.75
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide (CID 21109679) is N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide is CC(O)(CNC(=O)c1cnc(OCc2cccnc2)c(-c2ccc(F)cc2)c1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is COFGOQPSEGWFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-24(30,19-6-7-19)15-28-22(29)18-11-21(17-4-8-20(25)9-5-17)23(27-13-18)31-14-16-3-2-10-26-12-16/h2-5,8-13,19,30H,6-7,14-15H2,1H3,(H,28,29).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide?
N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-(pyridin-3-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 21109679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).