N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C18H26N4O3 — CID 124974894

IUPACN-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc([C@@H]2CCCN2CC(=O)N2CCOCC2)n1
InChIInChI=1S/C18H26N4O3/c1-14(23)19-12-15-4-2-5-16(20-15)17-6-3-7-22(17)13-18(24)21-8-10-25-11-9-21/h2,4-5,17H,3,6-13H2,1H3,(H,19,23)/t17-/m0/s1
InChIKeyKTSKHAMFRHPLND-KRWDZBQOSA-N
MW346.43 g/mol
LogP0.71
Rot. Bonds5

About N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 124974894) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID124974894
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc([C@@H]2CCCN2CC(=O)N2CCOCC2)n1
InChIInChI=1S/C18H26N4O3/c1-14(23)19-12-15-4-2-5-16(20-15)17-6-3-7-22(17)13-18(24)21-8-10-25-11-9-21/h2,4-5,17H,3,6-13H2,1H3,(H,19,23)/t17-/m0/s1
InChIKeyKTSKHAMFRHPLND-KRWDZBQOSA-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-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 124974894) is N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cccc([C@@H]2CCCN2CC(=O)N2CCOCC2)n1.
What is the InChIKey of N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is KTSKHAMFRHPLND-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-14(23)19-12-15-4-2-5-16(20-15)17-6-3-7-22(17)13-18(24)21-8-10-25-11-9-21/h2,4-5,17H,3,6-13H2,1H3,(H,19,23)/t17-/m0/s1.
What are the key properties of N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]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-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 124974894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).