4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one

C22H21N7O2 — CID 44589598

IUPAC4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one
SMILESO=c1cc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)cc[nH]1
InChIInChI=1S/C22H21N7O2/c30-18-12-14(8-10-23-18)9-11-24-22-25-13-17(21-29-28-20(31-21)15-6-7-15)19(27-22)26-16-4-2-1-3-5-16/h1-5,8,10,12-13,15H,6-7,9,11H2,(H,23,30)(H2,24,25,26,27)
InChIKeyHPLVMWVRMXXWNX-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.49
Rot. Bonds8

About 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one

4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one (PubChem CID 44589598) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one
PubChem CID44589598
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one
SMILESO=c1cc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)cc[nH]1
InChIInChI=1S/C22H21N7O2/c30-18-12-14(8-10-23-18)9-11-24-22-25-13-17(21-29-28-20(31-21)15-6-7-15)19(27-22)26-16-4-2-1-3-5-16/h1-5,8,10,12-13,15H,6-7,9,11H2,(H,23,30)(H2,24,25,26,27)
InChIKeyHPLVMWVRMXXWNX-UHFFFAOYSA-N
XLogP3.49
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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]-1H-pyridin-2-one?
The IUPAC name of 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one (CID 44589598) is 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one is O=c1cc(CCNc2ncc(-c3nnc(C4CC4)o3)c(Nc3ccccc3)n2)cc[nH]1.
What is the InChIKey of 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one?
The InChIKey is HPLVMWVRMXXWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c30-18-12-14(8-10-23-18)9-11-24-22-25-13-17(21-29-28-20(31-21)15-6-7-15)19(27-22)26-16-4-2-1-3-5-16/h1-5,8,10,12-13,15H,6-7,9,11H2,(H,23,30)(H2,24,25,26,27).
What are the key properties of 4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one?
4-[2-[[4-anilino-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino]ethyl]-1H-pyridin-2-one has a molecular weight of 415.46 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 8 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]-1H-pyridin-2-one is sourced from PubChem (CID 44589598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).