4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile

C11H14N4O — CID 79674262

IUPAC4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
SMILESCc1cnc(N2CCOC(C#N)C2)c(N)c1
InChIInChI=1S/C11H14N4O/c1-8-4-10(13)11(14-6-8)15-2-3-16-9(5-12)7-15/h4,6,9H,2-3,7,13H2,1H3
InChIKeyKCCAMXLPRKEJIO-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.70
Rot. Bonds1

About 4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile

4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile (PubChem CID 79674262) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
PubChem CID79674262
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile
SMILESCc1cnc(N2CCOC(C#N)C2)c(N)c1
InChIInChI=1S/C11H14N4O/c1-8-4-10(13)11(14-6-8)15-2-3-16-9(5-12)7-15/h4,6,9H,2-3,7,13H2,1H3
InChIKeyKCCAMXLPRKEJIO-UHFFFAOYSA-N
XLogP0.70
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile (CID 79674262) is 4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile is Cc1cnc(N2CCOC(C#N)C2)c(N)c1.
What is the InChIKey of 4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile?
The InChIKey is KCCAMXLPRKEJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-4-10(13)11(14-6-8)15-2-3-16-9(5-12)7-15/h4,6,9H,2-3,7,13H2,1H3.
What are the key properties of 4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile?
4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-methyl-2-pyridinyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).