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

C21H20F2N4O — CID 56944388

IUPACN-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2ccc(F)c(-c3ncccc3F)c2)C2CCC2)c1
InChIInChI=1S/C21H20F2N4O/c1-26-12-19(25-13-26)21(28)27(15-4-2-5-15)11-14-7-8-17(22)16(10-14)20-18(23)6-3-9-24-20/h3,6-10,12-13,15H,2,4-5,11H2,1H3
InChIKeyJUZJYYLMBLIOIA-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.96
Rot. Bonds5

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

N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide (PubChem CID 56944388) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide
PubChem CID56944388
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC NameN-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)N(Cc2ccc(F)c(-c3ncccc3F)c2)C2CCC2)c1
InChIInChI=1S/C21H20F2N4O/c1-26-12-19(25-13-26)21(28)27(15-4-2-5-15)11-14-7-8-17(22)16(10-14)20-18(23)6-3-9-24-20/h3,6-10,12-13,15H,2,4-5,11H2,1H3
InChIKeyJUZJYYLMBLIOIA-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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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide (CID 56944388) is N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)N(Cc2ccc(F)c(-c3ncccc3F)c2)C2CCC2)c1.
What is the InChIKey of N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide?
The InChIKey is JUZJYYLMBLIOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-26-12-19(25-13-26)21(28)27(15-4-2-5-15)11-14-7-8-17(22)16(10-14)20-18(23)6-3-9-24-20/h3,6-10,12-13,15H,2,4-5,11H2,1H3.
What are the key properties of N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide?
N-cyclobutyl-N-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]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-[[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]methyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 56944388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).