N-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

C18H26N4O3 — CID 118739951

IUPACN-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC1c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C18H26N4O3/c1-14(23)19-12-18(24)22-6-2-3-17(22)16-5-4-15(11-20-16)13-21-7-9-25-10-8-21/h4-5,11,17H,2-3,6-10,12-13H2,1H3,(H,19,23)
InChIKeyCMGXWARMMLOKRK-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.71
Rot. Bonds5

About N-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide

N-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 118739951) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID118739951
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC1c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C18H26N4O3/c1-14(23)19-12-18(24)22-6-2-3-17(22)16-5-4-15(11-20-16)13-21-7-9-25-10-8-21/h4-5,11,17H,2-3,6-10,12-13H2,1H3,(H,19,23)
InChIKeyCMGXWARMMLOKRK-UHFFFAOYSA-N
XLogP0.71
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 118739951) is N-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCCC1c1ccc(CN2CCOCC2)cn1.
What is the InChIKey of N-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is CMGXWARMMLOKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-14(23)19-12-18(24)22-6-2-3-17(22)16-5-4-15(11-20-16)13-21-7-9-25-10-8-21/h4-5,11,17H,2-3,6-10,12-13H2,1H3,(H,19,23).
What are the key properties of N-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 118739951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).