5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile

C17H18ClN5O — CID 124882189

IUPAC5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile
SMILESCN1CCO[C@@H]([C@@H](Nc2cnc(C#N)cn2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H18ClN5O/c1-23-6-7-24-15(11-23)17(12-2-4-13(18)5-3-12)22-16-10-20-14(8-19)9-21-16/h2-5,9-10,15,17H,6-7,11H2,1H3,(H,21,22)/t15-,17+/m1/s1
InChIKeyIDSHYOSKGHINLZ-WBVHZDCISA-N
MW343.82 g/mol
LogP2.49
Rot. Bonds4

About 5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile

5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile (PubChem CID 124882189) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile
PubChem CID124882189
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile
SMILESCN1CCO[C@@H]([C@@H](Nc2cnc(C#N)cn2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H18ClN5O/c1-23-6-7-24-15(11-23)17(12-2-4-13(18)5-3-12)22-16-10-20-14(8-19)9-21-16/h2-5,9-10,15,17H,6-7,11H2,1H3,(H,21,22)/t15-,17+/m1/s1
InChIKeyIDSHYOSKGHINLZ-WBVHZDCISA-N
XLogP2.49
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile (CID 124882189) is 5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile is CN1CCO[C@@H]([C@@H](Nc2cnc(C#N)cn2)c2ccc(Cl)cc2)C1.
What is the InChIKey of 5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile?
The InChIKey is IDSHYOSKGHINLZ-WBVHZDCISA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-23-6-7-24-15(11-23)17(12-2-4-13(18)5-3-12)22-16-10-20-14(8-19)9-21-16/h2-5,9-10,15,17H,6-7,11H2,1H3,(H,21,22)/t15-,17+/m1/s1.
What are the key properties of 5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile?
5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile has a molecular weight of 343.82 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(S)-(4-chlorophenyl)-[(2R)-4-methylmorpholin-2-yl]methyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 124882189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).