N-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide

C20H24N4O3 — CID 175857155

IUPACN-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ncc(N3CCOCC3=O)cc2C(C)(C)C)cn1
InChIInChI=1S/C20H24N4O3/c1-13(25)23-17-6-5-14(10-21-17)19-16(20(2,3)4)9-15(11-22-19)24-7-8-27-12-18(24)26/h5-6,9-11H,7-8,12H2,1-4H3,(H,21,23,25)
InChIKeyWUPQYBVFVUFHTF-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.76
Rot. Bonds3

About N-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide

N-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 175857155) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide
PubChem CID175857155
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ncc(N3CCOCC3=O)cc2C(C)(C)C)cn1
InChIInChI=1S/C20H24N4O3/c1-13(25)23-17-6-5-14(10-21-17)19-16(20(2,3)4)9-15(11-22-19)24-7-8-27-12-18(24)26/h5-6,9-11H,7-8,12H2,1-4H3,(H,21,23,25)
InChIKeyWUPQYBVFVUFHTF-UHFFFAOYSA-N
XLogP2.76
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide (CID 175857155) is N-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2ncc(N3CCOCC3=O)cc2C(C)(C)C)cn1.
What is the InChIKey of N-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is WUPQYBVFVUFHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(25)23-17-6-5-14(10-21-17)19-16(20(2,3)4)9-15(11-22-19)24-7-8-27-12-18(24)26/h5-6,9-11H,7-8,12H2,1-4H3,(H,21,23,25).
What are the key properties of N-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide?
N-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-tert-butyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 175857155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).