6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile

C17H20N4OS — CID 122132155

IUPAC6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile
SMILESCC1CN(C(CNc2cccc(C#N)n2)c2cccs2)CCO1
InChIInChI=1S/C17H20N4OS/c1-13-12-21(7-8-22-13)15(16-5-3-9-23-16)11-19-17-6-2-4-14(10-18)20-17/h2-6,9,13,15H,7-8,11-12H2,1H3,(H,19,20)
InChIKeyFLDZNSGEBVDMSW-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.89
Rot. Bonds5

About 6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile

6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile (PubChem CID 122132155) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile
PubChem CID122132155
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile
SMILESCC1CN(C(CNc2cccc(C#N)n2)c2cccs2)CCO1
InChIInChI=1S/C17H20N4OS/c1-13-12-21(7-8-22-13)15(16-5-3-9-23-16)11-19-17-6-2-4-14(10-18)20-17/h2-6,9,13,15H,7-8,11-12H2,1H3,(H,19,20)
InChIKeyFLDZNSGEBVDMSW-UHFFFAOYSA-N
XLogP2.89
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 98774946
4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 95773118
4,4-dimethyl-5-[[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]amino]pentanenitrile
CID 98768142
(2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 95767303
(2S)-2-[(2S)-2-methylmorpholin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 95774005
2-(2-methylmorpholin-4-yl)-N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylethanamine
CID 119155808
3-ethyl-1-methyl-N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-4-nitropyrazol-5-amine
CID 133441446
6-[4-(2-methylmorpholin-4-yl)anilino]pyridine-2-carbonitrile
CID 133392611
N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 86934746
3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide
CID 97058927
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111966061
1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111966252

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile (CID 122132155) is 6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile is CC1CN(C(CNc2cccc(C#N)n2)c2cccs2)CCO1.
What is the InChIKey of 6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile?
The InChIKey is FLDZNSGEBVDMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-13-12-21(7-8-22-13)15(16-5-3-9-23-16)11-19-17-6-2-4-14(10-18)20-17/h2-6,9,13,15H,7-8,11-12H2,1H3,(H,19,20).
What are the key properties of 6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile?
6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile has a molecular weight of 328.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 122132155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).