4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile

C23H20N8O — CID 44589600

IUPAC4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)ccn1
InChIInChI=1S/C23H20N8O/c24-13-18-12-15(8-10-25-18)9-11-26-23-27-14-19(22-31-30-21(32-22)16-6-7-16)20(29-23)28-17-4-2-1-3-5-17/h1-5,8,10,12,14,16H,6-7,9,11H2,(H2,26,27,28,29)
InChIKeyKNGOIMNXZYBQJL-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.07
Rot. Bonds8

About 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile

4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile (PubChem CID 44589600) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile
PubChem CID44589600
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)ccn1
InChIInChI=1S/C23H20N8O/c24-13-18-12-15(8-10-25-18)9-11-26-23-27-14-19(22-31-30-21(32-22)16-6-7-16)20(29-23)28-17-4-2-1-3-5-17/h1-5,8,10,12,14,16H,6-7,9,11H2,(H2,26,27,28,29)
InChIKeyKNGOIMNXZYBQJL-UHFFFAOYSA-N
XLogP4.07
TPSA125.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile (CID 44589600) is 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile is N#Cc1cc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)ccn1.
What is the InChIKey of 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile?
The InChIKey is KNGOIMNXZYBQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c24-13-18-12-15(8-10-25-18)9-11-26-23-27-14-19(22-31-30-21(32-22)16-6-7-16)20(29-23)28-17-4-2-1-3-5-17/h1-5,8,10,12,14,16H,6-7,9,11H2,(H2,26,27,28,29).
What are the key properties of 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile?
4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile has a molecular weight of 424.47 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 44589600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).