6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile

C12H16N4O — CID 115315787

IUPAC6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile
SMILESCC(N)C1CN(c2ccc(C#N)cn2)CCO1
InChIInChI=1S/C12H16N4O/c1-9(14)11-8-16(4-5-17-11)12-3-2-10(6-13)7-15-12/h2-3,7,9,11H,4-5,8,14H2,1H3
InChIKeyMYMMDUGSPLPGNQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.51
Rot. Bonds2

About 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile

6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile (PubChem CID 115315787) 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-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile
PubChem CID115315787
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile
SMILESCC(N)C1CN(c2ccc(C#N)cn2)CCO1
InChIInChI=1S/C12H16N4O/c1-9(14)11-8-16(4-5-17-11)12-3-2-10(6-13)7-15-12/h2-3,7,9,11H,4-5,8,14H2,1H3
InChIKeyMYMMDUGSPLPGNQ-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

1-[4-(5-chloro-2-pyridinyl)morpholin-2-yl]ethanamine
CID 115315765
6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-2-carbonitrile
CID 115315735
1-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethanamine
CID 115315932
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
1-[4-(5,6-dimethylpyrazin-2-yl)morpholin-2-yl]ethanamine
CID 114476599
1-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]ethanamine
CID 115315845
4-(5-cyano-2-pyridinyl)-N-cyclopropylmorpholine-2-carboxamide
CID 155942289
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
CID 175401707
6-[2-(1-aminoethyl)morpholin-4-yl]-N-methylpyridazine-3-carboxamide
CID 115315974
6-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 100838375
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile (CID 115315787) is 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile is CC(N)C1CN(c2ccc(C#N)cn2)CCO1.
What is the InChIKey of 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile?
The InChIKey is MYMMDUGSPLPGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(14)11-8-16(4-5-17-11)12-3-2-10(6-13)7-15-12/h2-3,7,9,11H,4-5,8,14H2,1H3.
What are the key properties of 6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile?
6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-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-3-carbonitrile is sourced from PubChem (CID 115315787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).