4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide

C13H16N4O2 — CID 83098897

IUPAC4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cnccc1C#N
InChIInChI=1S/C13H16N4O2/c1-2-16-13(18)12-9-19-6-5-17(12)11-8-15-4-3-10(11)7-14/h3-4,8,12H,2,5-6,9H2,1H3,(H,16,18)
InChIKeyZESXDNZXIHUZOC-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.29
Rot. Bonds3

About 4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide

4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 83098897) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide
PubChem CID83098897
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cnccc1C#N
InChIInChI=1S/C13H16N4O2/c1-2-16-13(18)12-9-19-6-5-17(12)11-8-15-4-3-10(11)7-14/h3-4,8,12H,2,5-6,9H2,1H3,(H,16,18)
InChIKeyZESXDNZXIHUZOC-UHFFFAOYSA-N
XLogP0.29
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide (CID 83098897) is 4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1cnccc1C#N.
What is the InChIKey of 4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is ZESXDNZXIHUZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-16-13(18)12-9-19-6-5-17(12)11-8-15-4-3-10(11)7-14/h3-4,8,12H,2,5-6,9H2,1H3,(H,16,18).
What are the key properties of 4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide?
4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83098897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).