1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide

C16H22N4O3 — CID 166395961

IUPAC1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CN(c2ccc(NC(=O)C3CC(=O)N(C)C3)cn2)CCO1
InChIInChI=1S/C16H22N4O3/c1-11-9-20(5-6-23-11)14-4-3-13(8-17-14)18-16(22)12-7-15(21)19(2)10-12/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,18,22)
InChIKeyBMWLEUPCIOENFQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.72
Rot. Bonds3

About 1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide

1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 166395961) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID166395961
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1CN(c2ccc(NC(=O)C3CC(=O)N(C)C3)cn2)CCO1
InChIInChI=1S/C16H22N4O3/c1-11-9-20(5-6-23-11)14-4-3-13(8-17-14)18-16(22)12-7-15(21)19(2)10-12/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,18,22)
InChIKeyBMWLEUPCIOENFQ-UHFFFAOYSA-N
XLogP0.72
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide (CID 166395961) is 1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is CC1CN(c2ccc(NC(=O)C3CC(=O)N(C)C3)cn2)CCO1.
What is the InChIKey of 1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BMWLEUPCIOENFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-9-20(5-6-23-11)14-4-3-13(8-17-14)18-16(22)12-7-15(21)19(2)10-12/h3-4,8,11-12H,5-7,9-10H2,1-2H3,(H,18,22).
What are the key properties of 1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide?
1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-(2-methylmorpholin-4-yl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166395961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).