5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C18H20FN3O2 — CID 109184938

IUPAC5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(NCc2ccccc2F)cn1
InChIInChI=1S/C18H20FN3O2/c19-16-6-2-1-4-13(16)10-20-14-7-8-17(21-11-14)18(23)22-12-15-5-3-9-24-15/h1-2,4,6-8,11,15,20H,3,5,9-10,12H2,(H,22,23)
InChIKeyBYSIXFFNEZLVPT-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.74
Rot. Bonds6

About 5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109184938) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109184938
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(NCc2ccccc2F)cn1
InChIInChI=1S/C18H20FN3O2/c19-16-6-2-1-4-13(16)10-20-14-7-8-17(21-11-14)18(23)22-12-15-5-3-9-24-15/h1-2,4,6-8,11,15,20H,3,5,9-10,12H2,(H,22,23)
InChIKeyBYSIXFFNEZLVPT-UHFFFAOYSA-N
XLogP2.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185019
5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185098
N-[(2-methylphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185110
N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185117
N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185196
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109206922
N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114812
5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109183069
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
5-(2-morpholin-4-ylethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184925
N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189516

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 109184938) is 5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCC1CCCO1)c1ccc(NCc2ccccc2F)cn1.
What is the InChIKey of 5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is BYSIXFFNEZLVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-16-6-2-1-4-13(16)10-20-14-7-8-17(21-11-14)18(23)22-12-15-5-3-9-24-15/h1-2,4,6-8,11,15,20H,3,5,9-10,12H2,(H,22,23).
What are the key properties of 5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109184938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).