N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide

C20H17FN4O — CID 121168086

IUPACN-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C20H17FN4O/c21-16-6-8-17(9-7-16)24-20(26)15-11-25(12-15)19-10-18(22-13-23-19)14-4-2-1-3-5-14/h1-10,13,15H,11-12H2,(H,24,26)
InChIKeyPENSENHGVHIZNK-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.36
Rot. Bonds4

About N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide

N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 121168086) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID121168086
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C20H17FN4O/c21-16-6-8-17(9-7-16)24-20(26)15-11-25(12-15)19-10-18(22-13-23-19)14-4-2-1-3-5-14/h1-10,13,15H,11-12H2,(H,24,26)
InChIKeyPENSENHGVHIZNK-UHFFFAOYSA-N
XLogP3.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenoxyphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168173
N-(3-methylsulfanylphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168195
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53061964
N-(2-methylsulfanylphenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121018177
N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519264
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168298
N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168055
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519239
N-(5-methyl-1,3-thiazol-2-yl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168252
1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 90519234

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide (CID 121168086) is N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide is O=C(Nc1ccc(F)cc1)C1CN(c2cc(-c3ccccc3)ncn2)C1.
What is the InChIKey of N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is PENSENHGVHIZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c21-16-6-8-17(9-7-16)24-20(26)15-11-25(12-15)19-10-18(22-13-23-19)14-4-2-1-3-5-14/h1-10,13,15H,11-12H2,(H,24,26).
What are the key properties of N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121168086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).