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

C25H27N3O3 — CID 125025576

IUPAC4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESCOc1cc(C)ccc1CN1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1
InChIInChI=1S/C25H27N3O3/c1-17-6-7-20(23(14-17)30-2)15-28-12-13-31-24(16-28)22-5-3-4-21(27-22)18-8-10-19(11-9-18)25(26)29/h3-11,14,24H,12-13,15-16H2,1-2H3,(H2,26,29)/t24-/m1/s1
InChIKeyZNKIEQCYPGGINW-XMMPIXPASA-N
MW417.51 g/mol
LogP3.74
Rot. Bonds6

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

4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide (PubChem CID 125025576) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
PubChem CID125025576
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESCOc1cc(C)ccc1CN1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1
InChIInChI=1S/C25H27N3O3/c1-17-6-7-20(23(14-17)30-2)15-28-12-13-31-24(16-28)22-5-3-4-21(27-22)18-8-10-19(11-9-18)25(26)29/h3-11,14,24H,12-13,15-16H2,1-2H3,(H2,26,29)/t24-/m1/s1
InChIKeyZNKIEQCYPGGINW-XMMPIXPASA-N
XLogP3.74
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The IUPAC name of 4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide (CID 125025576) is 4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide is COc1cc(C)ccc1CN1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1.
What is the InChIKey of 4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The InChIKey is ZNKIEQCYPGGINW-XMMPIXPASA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17-6-7-20(23(14-17)30-2)15-28-12-13-31-24(16-28)22-5-3-4-21(27-22)18-8-10-19(11-9-18)25(26)29/h3-11,14,24H,12-13,15-16H2,1-2H3,(H2,26,29)/t24-/m1/s1.
What are the key properties of 4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide?
4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2R)-4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 125025576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).