5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile

C25H28N6O2 — CID 147488652

IUPAC5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCC3CCCCC3)c(-c3ccc(OCCO)cc3)cn2)cn1
InChIInChI=1S/C25H28N6O2/c26-13-20-15-29-25(17-27-20)31-24-12-23(28-14-18-4-2-1-3-5-18)22(16-30-24)19-6-8-21(9-7-19)33-11-10-32/h6-9,12,15-18,32H,1-5,10-11,14H2,(H2,28,29,30,31)
InChIKeyFFBOYZJDRZRBMJ-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.52
Rot. Bonds9

About 5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile

5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 147488652) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile
PubChem CID147488652
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(NCC3CCCCC3)c(-c3ccc(OCCO)cc3)cn2)cn1
InChIInChI=1S/C25H28N6O2/c26-13-20-15-29-25(17-27-20)31-24-12-23(28-14-18-4-2-1-3-5-18)22(16-30-24)19-6-8-21(9-7-19)33-11-10-32/h6-9,12,15-18,32H,1-5,10-11,14H2,(H2,28,29,30,31)
InChIKeyFFBOYZJDRZRBMJ-UHFFFAOYSA-N
XLogP4.52
TPSA115.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 147488652) is 5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NCC3CCCCC3)c(-c3ccc(OCCO)cc3)cn2)cn1.
What is the InChIKey of 5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is FFBOYZJDRZRBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c26-13-20-15-29-25(17-27-20)31-24-12-23(28-14-18-4-2-1-3-5-18)22(16-30-24)19-6-8-21(9-7-19)33-11-10-32/h6-9,12,15-18,32H,1-5,10-11,14H2,(H2,28,29,30,31).
What are the key properties of 5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile?
5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 444.54 g/mol, XLogP of 4.52, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(cyclohexylmethylamino)-5-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 147488652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).