1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide

C21H21FN4O — CID 138996652

IUPAC1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
SMILESCc1nccn1-c1ncccc1CNC(=O)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C21H21FN4O/c1-15-23-12-13-26(15)19-16(4-2-11-24-19)14-25-20(27)21(9-3-10-21)17-5-7-18(22)8-6-17/h2,4-8,11-13H,3,9-10,14H2,1H3,(H,25,27)
InChIKeyRBDWBONOONLGNG-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.45
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide (PubChem CID 138996652) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
PubChem CID138996652
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
SMILESCc1nccn1-c1ncccc1CNC(=O)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C21H21FN4O/c1-15-23-12-13-26(15)19-16(4-2-11-24-19)14-25-20(27)21(9-3-10-21)17-5-7-18(22)8-6-17/h2,4-8,11-13H,3,9-10,14H2,1H3,(H,25,27)
InChIKeyRBDWBONOONLGNG-UHFFFAOYSA-N
XLogP3.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide
CID 139008860
1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 110438262
1-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 110438266
1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea
CID 56818885
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 51155660
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 154749067
1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
CID 138003231
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
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1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
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1-(4-fluorophenyl)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 91630268
cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 99845704
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide (CID 138996652) is 1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide is Cc1nccn1-c1ncccc1CNC(=O)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is RBDWBONOONLGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-15-23-12-13-26(15)19-16(4-2-11-24-19)14-25-20(27)21(9-3-10-21)17-5-7-18(22)8-6-17/h2,4-8,11-13H,3,9-10,14H2,1H3,(H,25,27).
What are the key properties of 1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 138996652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).