5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile

C12H16N4O — CID 54860718

IUPAC5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile
SMILESCCC1COCCN1c1ncc(N)cc1C#N
InChIInChI=1S/C12H16N4O/c1-2-11-8-17-4-3-16(11)12-9(6-13)5-10(14)7-15-12/h5,7,11H,2-4,8,14H2,1H3
InChIKeyWKYXYIPMQZLADG-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.15
Rot. Bonds2

About 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile

5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile (PubChem CID 54860718) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile
PubChem CID54860718
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile
SMILESCCC1COCCN1c1ncc(N)cc1C#N
InChIInChI=1S/C12H16N4O/c1-2-11-8-17-4-3-16(11)12-9(6-13)5-10(14)7-15-12/h5,7,11H,2-4,8,14H2,1H3
InChIKeyWKYXYIPMQZLADG-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carboxylate
CID 114047041
5-amino-2-(3,3-dimethylmorpholin-4-yl)pyridine-3-carbonitrile
CID 61429731
3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
CID 103379570
5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 114086186
5-(3-ethylmorpholin-4-yl)pyrazin-2-amine
CID 80653385
4-(5-bromo-3-nitro-2-pyridinyl)-3-ethylmorpholine
CID 61375480
5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 63168667
4-(3-ethylmorpholin-4-yl)-2-(trifluoromethyl)benzonitrile
CID 43613334
N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62283822
2-tert-butyl-6-(3-ethylmorpholin-4-yl)pyrimidin-4-amine
CID 80967084
4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile
CID 79674180
4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine
CID 114920876

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile (CID 54860718) is 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile is CCC1COCCN1c1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile?
The InChIKey is WKYXYIPMQZLADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-11-8-17-4-3-16(11)12-9(6-13)5-10(14)7-15-12/h5,7,11H,2-4,8,14H2,1H3.
What are the key properties of 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile?
5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 54860718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).