4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide

C13H16N4O2 — CID 83099052

IUPAC4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1nccc(C)c1C#N
InChIInChI=1S/C13H16N4O2/c1-9-3-4-16-12(10(9)7-14)17-5-6-19-8-11(17)13(18)15-2/h3-4,11H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyOWRGDASWZALXNL-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.21
Rot. Bonds2

About 4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide

4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83099052) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide
PubChem CID83099052
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1nccc(C)c1C#N
InChIInChI=1S/C13H16N4O2/c1-9-3-4-16-12(10(9)7-14)17-5-6-19-8-11(17)13(18)15-2/h3-4,11H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyOWRGDASWZALXNL-UHFFFAOYSA-N
XLogP0.21
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide (CID 83099052) is 4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1c1nccc(C)c1C#N.
What is the InChIKey of 4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is OWRGDASWZALXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-3-4-16-12(10(9)7-14)17-5-6-19-8-11(17)13(18)15-2/h3-4,11H,5-6,8H2,1-2H3,(H,15,18).
What are the key properties of 4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide?
4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-4-methyl-2-pyridinyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83099052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).