N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

C19H18N6O2 — CID 119100942

IUPACN-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)cc1
InChIInChI=1S/C19H18N6O2/c1-13(26)14-2-4-16(5-3-14)23-19(27)15-9-25(10-15)18-8-17(21-11-22-18)24-7-6-20-12-24/h2-8,11-12,15H,9-10H2,1H3,(H,23,27)
InChIKeyYKBIKVHYJKCQBB-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.94
Rot. Bonds5

About N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 119100942) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID119100942
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)cc1
InChIInChI=1S/C19H18N6O2/c1-13(26)14-2-4-16(5-3-14)23-19(27)15-9-25(10-15)18-8-17(21-11-22-18)24-7-6-20-12-24/h2-8,11-12,15H,9-10H2,1H3,(H,23,27)
InChIKeyYKBIKVHYJKCQBB-UHFFFAOYSA-N
XLogP1.94
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide
CID 122161194
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(6-methoxy-3-pyridinyl)azetidine-3-carboxamide
CID 122161195
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 119100946
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-pyrazin-2-ylazetidine-3-carboxamide
CID 122161190
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[3-(methanesulfonamido)phenyl]azetidine-3-carboxamide
CID 122161183
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methyl-1,3-benzothiazol-5-yl)azetidine-3-carboxamide
CID 121018217
1-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 122338349
N-(4-ethoxyphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520297
N-[4-(acetylsulfamoyl)phenyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520287
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90520307
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 119100949
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(2-methylcyclohexyl)azetidine-3-carboxamide
CID 122160300

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (CID 119100942) is N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is CC(=O)c1ccc(NC(=O)C2CN(c3cc(-n4ccnc4)ncn3)C2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is YKBIKVHYJKCQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-13(26)14-2-4-16(5-3-14)23-19(27)15-9-25(10-15)18-8-17(21-11-22-18)24-7-6-20-12-24/h2-8,11-12,15H,9-10H2,1H3,(H,23,27).
What are the key properties of N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 119100942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).