N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide

C21H21FN4O2 — CID 86690499

IUPACN-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2ccnc(-c3ccc(F)c(O)c3)c2)C2CCC2)c1
InChIInChI=1S/C21H21FN4O2/c1-25-12-19(24-13-25)21(28)26(16-3-2-4-16)11-14-7-8-23-18(9-14)15-5-6-17(22)20(27)10-15/h5-10,12-13,16,27H,2-4,11H2,1H3
InChIKeyZQTAZEYMKPDQDJ-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.52
Rot. Bonds5

About N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide

N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide (PubChem CID 86690499) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide
PubChem CID86690499
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2ccnc(-c3ccc(F)c(O)c3)c2)C2CCC2)c1
InChIInChI=1S/C21H21FN4O2/c1-25-12-19(24-13-25)21(28)26(16-3-2-4-16)11-14-7-8-23-18(9-14)15-5-6-17(22)20(27)10-15/h5-10,12-13,16,27H,2-4,11H2,1H3
InChIKeyZQTAZEYMKPDQDJ-UHFFFAOYSA-N
XLogP3.52
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide
CID 56944292
N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 66888537
N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide
CID 56944388
N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 56943997
N-[(3-bromo-4-fluorophenyl)methyl]cyclobutanamine;N-[(3-bromo-4-fluorophenyl)methyl]-N-cyclobutyl-1-methylimidazole-4-carboxamide;1-methylimidazole-4-carboxylic acid
CID 160635990
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-[1-(2-hydroxypropyl)azepan-4-yl]-1-methylimidazole-4-carboxamide
CID 24989208
1-methyl-N-[(3-methylphenyl)methyl]-N-(oxan-4-yl)imidazole-4-carboxamide
CID 158964319
N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107970866
1-methyl-N-(thian-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 46916816
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-N-[(3-cyclopentyloxyphenyl)methyl]-1-methylimidazole-4-carboxamide
CID 46231013
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-N-[1-(2-morpholin-4-yl-2-oxo-1-phenylethyl)azepan-4-yl]imidazole-4-carboxamide
CID 24989589
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide (CID 86690499) is N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)N(Cc2ccnc(-c3ccc(F)c(O)c3)c2)C2CCC2)c1.
What is the InChIKey of N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide?
The InChIKey is ZQTAZEYMKPDQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-25-12-19(24-13-25)21(28)26(16-3-2-4-16)11-14-7-8-23-18(9-14)15-5-6-17(22)20(27)10-15/h5-10,12-13,16,27H,2-4,11H2,1H3.
What are the key properties of N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide?
N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 86690499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).