4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide

C22H28N4O3 — CID 125019777

IUPAC4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESCCN(CC)C(=O)CN1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1
InChIInChI=1S/C22H28N4O3/c1-3-26(4-2)21(27)15-25-12-13-29-20(14-25)19-7-5-6-18(24-19)16-8-10-17(11-9-16)22(23)28/h5-11,20H,3-4,12-15H2,1-2H3,(H2,23,28)/t20-/m1/s1
InChIKeyXYHHDZCYXYUTLK-HXUWFJFHSA-N
MW396.49 g/mol
LogP2.09
Rot. Bonds7

About 4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide

4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide (PubChem CID 125019777) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide
PubChem CID125019777
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESCCN(CC)C(=O)CN1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1
InChIInChI=1S/C22H28N4O3/c1-3-26(4-2)21(27)15-25-12-13-29-20(14-25)19-7-5-6-18(24-19)16-8-10-17(11-9-16)22(23)28/h5-11,20H,3-4,12-15H2,1-2H3,(H2,23,28)/t20-/m1/s1
InChIKeyXYHHDZCYXYUTLK-HXUWFJFHSA-N
XLogP2.09
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.09
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-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The IUPAC name of 4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide (CID 125019777) is 4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide is CCN(CC)C(=O)CN1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1.
What is the InChIKey of 4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The InChIKey is XYHHDZCYXYUTLK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-3-26(4-2)21(27)15-25-12-13-29-20(14-25)19-7-5-6-18(24-19)16-8-10-17(11-9-16)22(23)28/h5-11,20H,3-4,12-15H2,1-2H3,(H2,23,28)/t20-/m1/s1.
What are the key properties of 4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide?
4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 2.09, 7 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-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 125019777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).