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

C23H20FN3O3 — CID 124951464

IUPAC4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)c4ccc(F)cc4)CCO3)n2)cc1
InChIInChI=1S/C23H20FN3O3/c24-18-10-8-17(9-11-18)23(29)27-12-13-30-21(14-27)20-3-1-2-19(26-20)15-4-6-16(7-5-15)22(25)28/h1-11,21H,12-14H2,(H2,25,28)/t21-/m0/s1
InChIKeyDHZUPYSPZAECGV-NRFANRHFSA-N
MW405.43 g/mol
LogP3.20
Rot. Bonds4

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

4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide (PubChem CID 124951464) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide
PubChem CID124951464
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)c4ccc(F)cc4)CCO3)n2)cc1
InChIInChI=1S/C23H20FN3O3/c24-18-10-8-17(9-11-18)23(29)27-12-13-30-21(14-27)20-3-1-2-19(26-20)15-4-6-16(7-5-15)22(25)28/h1-11,21H,12-14H2,(H2,25,28)/t21-/m0/s1
InChIKeyDHZUPYSPZAECGV-NRFANRHFSA-N
XLogP3.20
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 124951465
4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124963234
4-[6-[4-(cyclopentanecarbonyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 155983921
4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 125014118
(4-fluorophenyl)-[(2R)-2-pyridin-2-ylmorpholin-4-yl]methanone
CID 95844813
[(2R)-2-[6-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124949019
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 124940424
4-[6-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 124963966
4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 125019777
6-[(2S)-4-(4-chlorobenzoyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847945
3-[6-[(2S)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124950685

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide?
The IUPAC name of 4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide (CID 124951464) is 4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide is NC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)c4ccc(F)cc4)CCO3)n2)cc1.
What is the InChIKey of 4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide?
The InChIKey is DHZUPYSPZAECGV-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20FN3O3/c24-18-10-8-17(9-11-18)23(29)27-12-13-30-21(14-27)20-3-1-2-19(26-20)15-4-6-16(7-5-15)22(25)28/h1-11,21H,12-14H2,(H2,25,28)/t21-/m0/s1.
What are the key properties of 4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide?
4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide has a molecular weight of 405.43 g/mol, XLogP of 3.20, 4 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-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 124951464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).