N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide

C21H20F2N4O — CID 56944292

IUPACN-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2ccnc(-c3cc(F)cc(F)c3)c2)C2CCC2)c1
InChIInChI=1S/C21H20F2N4O/c1-26-12-20(25-13-26)21(28)27(18-3-2-4-18)11-14-5-6-24-19(7-14)15-8-16(22)10-17(23)9-15/h5-10,12-13,18H,2-4,11H2,1H3
InChIKeyQWGIABRTFQSBGV-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.96
Rot. Bonds5

About N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide

N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide (PubChem CID 56944292) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide
PubChem CID56944292
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC NameN-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2ccnc(-c3cc(F)cc(F)c3)c2)C2CCC2)c1
InChIInChI=1S/C21H20F2N4O/c1-26-12-20(25-13-26)21(28)27(18-3-2-4-18)11-14-5-6-24-19(7-14)15-8-16(22)10-17(23)9-15/h5-10,12-13,18H,2-4,11H2,1H3
InChIKeyQWGIABRTFQSBGV-UHFFFAOYSA-N
XLogP3.96
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-N-[[2-(4-fluoro-3-hydroxyphenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide
CID 86690499
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-[[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-(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
1-methyl-N-(thian-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 46916816
N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107970866
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-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide
CID 70306979
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide (CID 56944292) is N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)N(Cc2ccnc(-c3cc(F)cc(F)c3)c2)C2CCC2)c1.
What is the InChIKey of N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide?
The InChIKey is QWGIABRTFQSBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-26-12-20(25-13-26)21(28)27(18-3-2-4-18)11-14-5-6-24-19(7-14)15-8-16(22)10-17(23)9-15/h5-10,12-13,18H,2-4,11H2,1H3.
What are the key properties of N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide?
N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[[2-(3,5-difluorophenyl)-4-pyridinyl]methyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 56944292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).