2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C18H20FN3O2 — CID 3201364

IUPAC2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cccnc1NCc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O2/c19-14-7-5-13(6-8-14)11-21-17-16(4-1-9-20-17)18(23)22-12-15-3-2-10-24-15/h1,4-9,15H,2-3,10-12H2,(H,20,21)(H,22,23)
InChIKeySMJMNZUWMTYTII-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.74
Rot. Bonds6

About 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 3201364) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID3201364
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cccnc1NCc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O2/c19-14-7-5-13(6-8-14)11-21-17-16(4-1-9-20-17)18(23)22-12-15-3-2-10-24-15/h1,4-9,15H,2-3,10-12H2,(H,20,21)(H,22,23)
InChIKeySMJMNZUWMTYTII-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 3201364) is 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cccnc1NCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is SMJMNZUWMTYTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-14-7-5-13(6-8-14)11-21-17-16(4-1-9-20-17)18(23)22-12-15-3-2-10-24-15/h1,4-9,15H,2-3,10-12H2,(H,20,21)(H,22,23).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-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 2-[(4-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 3201364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).