N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide

C26H23FN6O2 — CID 121168298

IUPACN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESO=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)C1CN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C26H23FN6O2/c27-21-8-6-19(7-9-21)23-13-25(34)32(17-31-23)11-10-28-26(35)20-14-33(15-20)24-12-22(29-16-30-24)18-4-2-1-3-5-18/h1-9,12-13,16-17,20H,10-11,14-15H2,(H,28,35)
InChIKeyVMJMLAMJAANFEW-UHFFFAOYSA-N
MW470.51 g/mol
LogP2.76
Rot. Bonds7

About N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide

N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 121168298) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID121168298
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC NameN-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESO=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)C1CN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C26H23FN6O2/c27-21-8-6-19(7-9-21)23-13-25(34)32(17-31-23)11-10-28-26(35)20-14-33(15-20)24-12-22(29-16-30-24)18-4-2-1-3-5-18/h1-9,12-13,16-17,20H,10-11,14-15H2,(H,28,35)
InChIKeyVMJMLAMJAANFEW-UHFFFAOYSA-N
XLogP2.76
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168086
3-[2-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one
CID 121107345
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516229
N-[(2-chlorophenyl)methyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168149
N-[2-(1H-indol-3-yl)ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121018176
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenyloxane-4-carboxamide
CID 90516201
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 90516273
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
CID 53005508
N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168055
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56724685
2-cyclohexyl-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90516017
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-hexylpiperidine-4-carboxamide
CID 53005503

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide (CID 121168298) is N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide is O=C(NCCn1cnc(-c2ccc(F)cc2)cc1=O)C1CN(c2cc(-c3ccccc3)ncn2)C1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is VMJMLAMJAANFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c27-21-8-6-19(7-9-21)23-13-25(34)32(17-31-23)11-10-28-26(35)20-14-33(15-20)24-12-22(29-16-30-24)18-4-2-1-3-5-18/h1-9,12-13,16-17,20H,10-11,14-15H2,(H,28,35).
What are the key properties of N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide?
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 470.51 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 121168298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).