3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide

C27H29N3O3 — CID 124950686

IUPAC3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESCc1ccc(C(C)(C)C(=O)N2CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)cc1
InChIInChI=1S/C27H29N3O3/c1-18-10-12-21(13-11-18)27(2,3)26(32)30-14-15-33-24(17-30)23-9-5-8-22(29-23)19-6-4-7-20(16-19)25(28)31/h4-13,16,24H,14-15,17H2,1-3H3,(H2,28,31)/t24-/m1/s1
InChIKeyDDIXXHRITFZUMO-XMMPIXPASA-N
MW443.55 g/mol
LogP4.03
Rot. Bonds5

About 3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide

3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide (PubChem CID 124950686) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
PubChem CID124950686
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESCc1ccc(C(C)(C)C(=O)N2CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)cc1
InChIInChI=1S/C27H29N3O3/c1-18-10-12-21(13-11-18)27(2,3)26(32)30-14-15-33-24(17-30)23-9-5-8-22(29-23)19-6-4-7-20(16-19)25(28)31/h4-13,16,24H,14-15,17H2,1-3H3,(H2,28,31)/t24-/m1/s1
InChIKeyDDIXXHRITFZUMO-XMMPIXPASA-N
XLogP4.03
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[(2S)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124950685
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
CID 124950091
1-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
CID 124950092
1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 124984073
3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 132772804
3-[6-[4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 127250616
3-[6-[(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124947759
3-[6-[(2S)-4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124940397
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
3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124978150

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide (CID 124950686) is 3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide is Cc1ccc(C(C)(C)C(=O)N2CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)cc1.
What is the InChIKey of 3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The InChIKey is DDIXXHRITFZUMO-XMMPIXPASA-N. The full InChI is InChI=1S/C27H29N3O3/c1-18-10-12-21(13-11-18)27(2,3)26(32)30-14-15-33-24(17-30)23-9-5-8-22(29-23)19-6-4-7-20(16-19)25(28)31/h4-13,16,24H,14-15,17H2,1-3H3,(H2,28,31)/t24-/m1/s1.
What are the key properties of 3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide?
3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 124950686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).