N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

C16H16N6O2 — CID 119100941

IUPACN-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CN(c2cc(-n3ccnc3)ncn2)C1
InChIInChI=1S/C16H16N6O2/c23-16(18-7-13-2-1-5-24-13)12-8-22(9-12)15-6-14(19-10-20-15)21-4-3-17-11-21/h1-6,10-12H,7-9H2,(H,18,23)
InChIKeyWRZSERHBQGJUBC-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.01
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide

N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (PubChem CID 119100941) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
PubChem CID119100941
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CN(c2cc(-n3ccnc3)ncn2)C1
InChIInChI=1S/C16H16N6O2/c23-16(18-7-13-2-1-5-24-13)12-8-22(9-12)15-6-14(19-10-20-15)21-4-3-17-11-21/h1-6,10-12H,7-9H2,(H,18,23)
InChIKeyWRZSERHBQGJUBC-UHFFFAOYSA-N
XLogP1.01
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
CID 121018223
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 56764920
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
N-[(4-chlorophenyl)methyl]-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 56764930
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-(2-methylcyclohexyl)azetidine-3-carboxamide
CID 122160300
N-(furan-2-ylmethyl)-1-[6-(4-methylanilino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53170553
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 119100949
N-(furan-2-ylmethyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 71785666

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide (CID 119100941) is N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is O=C(NCc1ccco1)C1CN(c2cc(-n3ccnc3)ncn2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
The InChIKey is WRZSERHBQGJUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c23-16(18-7-13-2-1-5-24-13)12-8-22(9-12)15-6-14(19-10-20-15)21-4-3-17-11-21/h1-6,10-12H,7-9H2,(H,18,23).
What are the key properties of N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide?
N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide is sourced from PubChem (CID 119100941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).