4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide

C23H22FN3O2 — CID 124963234

IUPAC4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc([C@@H]3CN(Cc4ccc(F)cc4)CCO3)n2)cc1
InChIInChI=1S/C23H22FN3O2/c24-19-10-4-16(5-11-19)14-27-12-13-29-22(15-27)21-3-1-2-20(26-21)17-6-8-18(9-7-17)23(25)28/h1-11,22H,12-15H2,(H2,25,28)/t22-/m0/s1
InChIKeyHOQCXCBCYGVTHS-QFIPXVFZSA-N
MW391.45 g/mol
LogP3.56
Rot. Bonds5

About 4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide

4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide (PubChem CID 124963234) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
PubChem CID124963234
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc([C@@H]3CN(Cc4ccc(F)cc4)CCO3)n2)cc1
InChIInChI=1S/C23H22FN3O2/c24-19-10-4-16(5-11-19)14-27-12-13-29-22(15-27)21-3-1-2-20(26-21)17-6-8-18(9-7-17)23(25)28/h1-11,22H,12-15H2,(H2,25,28)/t22-/m0/s1
InChIKeyHOQCXCBCYGVTHS-QFIPXVFZSA-N
XLogP3.56
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The IUPAC name of 4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide (CID 124963234) is 4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide is NC(=O)c1ccc(-c2cccc([C@@H]3CN(Cc4ccc(F)cc4)CCO3)n2)cc1.
What is the InChIKey of 4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The InChIKey is HOQCXCBCYGVTHS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-19-10-4-16(5-11-19)14-27-12-13-29-22(15-27)21-3-1-2-20(26-21)17-6-8-18(9-7-17)23(25)28/h1-11,22H,12-15H2,(H2,25,28)/t22-/m0/s1.
What are the key properties of 4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide has a molecular weight of 391.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 124963234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).