[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C17H18FN3O2 — CID 645532

IUPAC[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccnc1NCc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C17H18FN3O2/c18-14-5-3-13(4-6-14)12-20-16-15(2-1-7-19-16)17(22)21-8-10-23-11-9-21/h1-7H,8-12H2,(H,19,20)
InChIKeyNBVPFFKUNRJKLM-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.31
Rot. Bonds4

About [2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 645532) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID645532
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccnc1NCc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C17H18FN3O2/c18-14-5-3-13(4-6-14)12-20-16-15(2-1-7-19-16)17(22)21-8-10-23-11-9-21/h1-7H,8-12H2,(H,19,20)
InChIKeyNBVPFFKUNRJKLM-UHFFFAOYSA-N
XLogP2.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 645532) is [2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cccnc1NCc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of [2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is NBVPFFKUNRJKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-5-3-13(4-6-14)12-20-16-15(2-1-7-19-16)17(22)21-8-10-23-11-9-21/h1-7H,8-12H2,(H,19,20).
What are the key properties of [2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 315.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 645532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).