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

C24H24FN3O3 — CID 24856917

IUPACN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
SMILESC[C@](O)(CNC(=O)c1cnc(OCc2ccccn2)c(-c2ccc(F)cc2)c1)C1CC1
InChIInChI=1S/C24H24FN3O3/c1-24(30,18-7-8-18)15-28-22(29)17-12-21(16-5-9-19(25)10-6-16)23(27-13-17)31-14-20-4-2-3-11-26-20/h2-6,9-13,18,30H,7-8,14-15H2,1H3,(H,28,29)/t24-/m0/s1
InChIKeyICTLNHDTXDZURH-DEOSSOPVSA-N
MW421.47 g/mol
LogP3.75
Rot. Bonds8

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

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide (PubChem CID 24856917) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
PubChem CID24856917
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
SMILESC[C@](O)(CNC(=O)c1cnc(OCc2ccccn2)c(-c2ccc(F)cc2)c1)C1CC1
InChIInChI=1S/C24H24FN3O3/c1-24(30,18-7-8-18)15-28-22(29)17-12-21(16-5-9-19(25)10-6-16)23(27-13-17)31-14-20-4-2-3-11-26-20/h2-6,9-13,18,30H,7-8,14-15H2,1H3,(H,28,29)/t24-/m0/s1
InChIKeyICTLNHDTXDZURH-DEOSSOPVSA-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-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide (CID 24856917) is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide is C[C@](O)(CNC(=O)c1cnc(OCc2ccccn2)c(-c2ccc(F)cc2)c1)C1CC1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is ICTLNHDTXDZURH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-24(30,18-7-8-18)15-28-22(29)17-12-21(16-5-9-19(25)10-6-16)23(27-13-17)31-14-20-4-2-3-11-26-20/h2-6,9-13,18,30H,7-8,14-15H2,1H3,(H,28,29)/t24-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide?
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4-fluorophenyl)-6-(pyridin-2-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-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 24856917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).