N-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine

C23H17N7O — CID 127040243

IUPACN-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCc1ccc(-c2nnc(-c3cccnc3)o2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C23H17N7O/c1-15-6-7-16(21-29-30-22(31-21)18-5-3-10-25-14-18)12-20(15)28-23-26-11-8-19(27-23)17-4-2-9-24-13-17/h2-14H,1H3,(H,26,27,28)
InChIKeyZMAPOUSZTPGKGN-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.70
Rot. Bonds5

About N-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine

N-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 127040243) has the molecular formula C23H17N7O and a molecular weight of 407.44 g/mol. Its IUPAC name is N-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID127040243
Molecular FormulaC23H17N7O
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC NameN-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCc1ccc(-c2nnc(-c3cccnc3)o2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C23H17N7O/c1-15-6-7-16(21-29-30-22(31-21)18-5-3-10-25-14-18)12-20(15)28-23-26-11-8-19(27-23)17-4-2-9-24-13-17/h2-14H,1H3,(H,26,27,28)
InChIKeyZMAPOUSZTPGKGN-UHFFFAOYSA-N
XLogP4.70
TPSA102.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 127040243) is N-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine is Cc1ccc(-c2nnc(-c3cccnc3)o2)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of N-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is ZMAPOUSZTPGKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7O/c1-15-6-7-16(21-29-30-22(31-21)18-5-3-10-25-14-18)12-20(15)28-23-26-11-8-19(27-23)17-4-2-9-24-13-17/h2-14H,1H3,(H,26,27,28).
What are the key properties of N-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 407.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 127040243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).