N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide

C25H26FN3O3 — CID 21109676

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide
SMILESCc1cccnc1COc1ncc(C(=O)NCC(C)(O)C2CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C25H26FN3O3/c1-16-4-3-11-27-22(16)14-32-24-21(17-5-9-20(26)10-6-17)12-18(13-28-24)23(30)29-15-25(2,31)19-7-8-19/h3-6,9-13,19,31H,7-8,14-15H2,1-2H3,(H,29,30)
InChIKeyQXOUBPQFYONWHS-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.06
Rot. Bonds8

About N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide

N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide (PubChem CID 21109676) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide
PubChem CID21109676
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide
SMILESCc1cccnc1COc1ncc(C(=O)NCC(C)(O)C2CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C25H26FN3O3/c1-16-4-3-11-27-22(16)14-32-24-21(17-5-9-20(26)10-6-17)12-18(13-28-24)23(30)29-15-25(2,31)19-7-8-19/h3-6,9-13,19,31H,7-8,14-15H2,1-2H3,(H,29,30)
InChIKeyQXOUBPQFYONWHS-UHFFFAOYSA-N
XLogP4.06
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.06
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-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide (CID 21109676) is N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide is Cc1cccnc1COc1ncc(C(=O)NCC(C)(O)C2CC2)cc1-c1ccc(F)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide?
The InChIKey is QXOUBPQFYONWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-16-4-3-11-27-22(16)14-32-24-21(17-5-9-20(26)10-6-17)12-18(13-28-24)23(30)29-15-25(2,31)19-7-8-19/h3-6,9-13,19,31H,7-8,14-15H2,1-2H3,(H,29,30).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide?
N-(2-cyclopropyl-2-hydroxypropyl)-5-(4-fluorophenyl)-6-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 4.06, 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-[(3-methyl-2-pyridinyl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 21109676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).