4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide

C25H25N3O3 — CID 125014118

IUPAC4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)CCc4ccccc4)CCO3)n2)cc1
InChIInChI=1S/C25H25N3O3/c26-25(30)20-12-10-19(11-13-20)21-7-4-8-22(27-21)23-17-28(15-16-31-23)24(29)14-9-18-5-2-1-3-6-18/h1-8,10-13,23H,9,14-17H2,(H2,26,30)/t23-/m0/s1
InChIKeyWJWIENQKIMXRTP-QHCPKHFHSA-N
MW415.49 g/mol
LogP3.38
Rot. Bonds6

About 4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide

4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide (PubChem CID 125014118) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide
PubChem CID125014118
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)CCc4ccccc4)CCO3)n2)cc1
InChIInChI=1S/C25H25N3O3/c26-25(30)20-12-10-19(11-13-20)21-7-4-8-22(27-21)23-17-28(15-16-31-23)24(29)14-9-18-5-2-1-3-6-18/h1-8,10-13,23H,9,14-17H2,(H2,26,30)/t23-/m0/s1
InChIKeyWJWIENQKIMXRTP-QHCPKHFHSA-N
XLogP3.38
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 132772804
4-[6-[4-(cyclopentanecarbonyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 155983921
4-[6-[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 124951465
4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 124951464
1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one
CID 127252242
4-[6-[(3R)-1-[3-(4-methoxyphenyl)propanoyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 95809696
4-[6-[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124963234
4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 125019777
4-[6-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 124963966
3-(1H-indol-3-yl)-1-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 129457912
1-[2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 127250561
4-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethoxy]benzamide
CID 94796760

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide?
The IUPAC name of 4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide (CID 125014118) is 4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide is NC(=O)c1ccc(-c2cccc([C@@H]3CN(C(=O)CCc4ccccc4)CCO3)n2)cc1.
What is the InChIKey of 4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide?
The InChIKey is WJWIENQKIMXRTP-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25N3O3/c26-25(30)20-12-10-19(11-13-20)21-7-4-8-22(27-21)23-17-28(15-16-31-23)24(29)14-9-18-5-2-1-3-6-18/h1-8,10-13,23H,9,14-17H2,(H2,26,30)/t23-/m0/s1.
What are the key properties of 4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide?
4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 125014118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).