6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile

C12H16N4O — CID 115315735

IUPAC6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile
SMILESCC(N)C1CN(c2cccc(C#N)n2)CCO1
InChIInChI=1S/C12H16N4O/c1-9(14)11-8-16(5-6-17-11)12-4-2-3-10(7-13)15-12/h2-4,9,11H,5-6,8,14H2,1H3
InChIKeyULBKNTMVDWWVFM-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.51
Rot. Bonds2

About 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile

6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile (PubChem CID 115315735) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile
PubChem CID115315735
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile
SMILESCC(N)C1CN(c2cccc(C#N)n2)CCO1
InChIInChI=1S/C12H16N4O/c1-9(14)11-8-16(5-6-17-11)12-4-2-3-10(7-13)15-12/h2-4,9,11H,5-6,8,14H2,1H3
InChIKeyULBKNTMVDWWVFM-UHFFFAOYSA-N
XLogP0.51
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile
CID 115315787
methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate
CID 78995503
2-[2-(1-aminoethyl)morpholin-4-yl]benzonitrile
CID 113285117
6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64595716
1-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethanamine
CID 115315932
1-[4-(5,6-dimethylpyrazin-2-yl)morpholin-2-yl]ethanamine
CID 114476599
6-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]pyridine-2-carbonitrile
CID 86814552
4-[2-(1-aminoethyl)morpholin-4-yl]-3-chlorobenzonitrile
CID 115315958
1-(4-pyrimidin-2-ylmorpholin-2-yl)ethanamine
CID 115315809
1-[4-(5-chloro-2-pyridinyl)morpholin-2-yl]ethanamine
CID 115315765
6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 64589189
4-[2-(1-aminoethyl)morpholin-4-yl]-2-chlorobenzonitrile
CID 115315812

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile (CID 115315735) is 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile is CC(N)C1CN(c2cccc(C#N)n2)CCO1.
What is the InChIKey of 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile?
The InChIKey is ULBKNTMVDWWVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(14)11-8-16(5-6-17-11)12-4-2-3-10(7-13)15-12/h2-4,9,11H,5-6,8,14H2,1H3.
What are the key properties of 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile?
6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 115315735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).