4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide

C18H20FN3O2 — CID 122539608

IUPAC4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(NCC2CCOCC2)cn1
InChIInChI=1S/C18H20FN3O2/c19-14-3-1-13(2-4-14)15-9-16(18(20)23)22-11-17(15)21-10-12-5-7-24-8-6-12/h1-4,9,11-12,21H,5-8,10H2,(H2,20,23)
InChIKeyPSFGYZCDBVJMNP-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.83
Rot. Bonds5

About 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide

4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide (PubChem CID 122539608) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide
PubChem CID122539608
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(NCC2CCOCC2)cn1
InChIInChI=1S/C18H20FN3O2/c19-14-3-1-13(2-4-14)15-9-16(18(20)23)22-11-17(15)21-10-12-5-7-24-8-6-12/h1-4,9,11-12,21H,5-8,10H2,(H2,20,23)
InChIKeyPSFGYZCDBVJMNP-UHFFFAOYSA-N
XLogP2.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide (CID 122539608) is 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(NCC2CCOCC2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is PSFGYZCDBVJMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-14-3-1-13(2-4-14)15-9-16(18(20)23)22-11-17(15)21-10-12-5-7-24-8-6-12/h1-4,9,11-12,21H,5-8,10H2,(H2,20,23).
What are the key properties of 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(oxan-4-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 122539608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).