N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide

C20H17FN4O2S — CID 53187583

IUPACN-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1)c1cccs1
InChIInChI=1S/C20H17FN4O2S/c21-15-5-3-14(4-6-15)13-24-9-10-25(20(24)27)18-8-7-16(12-22-18)23-19(26)17-2-1-11-28-17/h1-8,11-12H,9-10,13H2,(H,23,26)
InChIKeyNLYZCLSSNHRYEB-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.98
Rot. Bonds5

About N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide

N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 53187583) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide
PubChem CID53187583
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC NameN-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1)c1cccs1
InChIInChI=1S/C20H17FN4O2S/c21-15-5-3-14(4-6-15)13-24-9-10-25(20(24)27)18-8-7-16(12-22-18)23-19(26)17-2-1-11-28-17/h1-8,11-12H,9-10,13H2,(H,23,26)
InChIKeyNLYZCLSSNHRYEB-UHFFFAOYSA-N
XLogP3.98
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide
CID 53187529
N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]-1,5-dimethylpyrazole-3-carboxamide
CID 53187605
N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 53187571
2-cyclohexyl-N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]acetamide
CID 53187718
N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 53187546
N-[4-[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]thiophene-2-carboxamide
CID 46040795
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 42857505
N-[6-(3-ethyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-3-methylthiophene-2-carboxamide
CID 53187421
N-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 113015495
N-[6-(3-ethyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-4-methylbenzamide
CID 53187463
N-[4-[2-oxo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]thiophene-2-carboxamide
CID 46040895
N-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]thiophene-2-carboxamide
CID 46069805

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide (CID 53187583) is N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1)c1cccs1.
What is the InChIKey of N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is NLYZCLSSNHRYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c21-15-5-3-14(4-6-15)13-24-9-10-25(20(24)27)18-8-7-16(12-22-18)23-19(26)17-2-1-11-28-17/h1-8,11-12H,9-10,13H2,(H,23,26).
What are the key properties of N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide?
N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 53187583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).