5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile

C14H13ClN6O — CID 59613401

IUPAC5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(N3CCOCC3)c(Cl)cn2)cn1
InChIInChI=1S/C14H13ClN6O/c15-11-8-19-13(5-12(11)21-1-3-22-4-2-21)20-14-9-17-10(6-16)7-18-14/h5,7-9H,1-4H2,(H,18,19,20)
InChIKeyGBMZNQWVMHWDHY-UHFFFAOYSA-N
MW316.75 g/mol
LogP1.98
Rot. Bonds3

About 5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile

5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile (PubChem CID 59613401) has the molecular formula C14H13ClN6O and a molecular weight of 316.75 g/mol. Its IUPAC name is 5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile
PubChem CID59613401
Molecular FormulaC14H13ClN6O
Molecular Weight316.75 g/mol
Exact Mass316.08
IUPAC Name5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(N3CCOCC3)c(Cl)cn2)cn1
InChIInChI=1S/C14H13ClN6O/c15-11-8-19-13(5-12(11)21-1-3-22-4-2-21)20-14-9-17-10(6-16)7-18-14/h5,7-9H,1-4H2,(H,18,19,20)
InChIKeyGBMZNQWVMHWDHY-UHFFFAOYSA-N
XLogP1.98
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile (CID 59613401) is 5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(N3CCOCC3)c(Cl)cn2)cn1.
What is the InChIKey of 5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile?
The InChIKey is GBMZNQWVMHWDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O/c15-11-8-19-13(5-12(11)21-1-3-22-4-2-21)20-14-9-17-10(6-16)7-18-14/h5,7-9H,1-4H2,(H,18,19,20).
What are the key properties of 5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile?
5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile has a molecular weight of 316.75 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-4-morpholin-4-yl-2-pyridinyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 59613401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).