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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).