N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide

C20H21F3N4O2S — CID 53187638

IUPACN-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C3CCCCC3)C2=O)nc1)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C20H21F3N4O2S/c21-20(22,23)16-8-7-15(30-16)18(28)25-13-6-9-17(24-12-13)27-11-10-26(19(27)29)14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H,25,28)
InChIKeyDQQXHBWCXQAFBN-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.99
Rot. Bonds4

About N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide

N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 53187638) has the molecular formula C20H21F3N4O2S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID53187638
Molecular FormulaC20H21F3N4O2S
Molecular Weight438.48 g/mol
Exact Mass438.13
IUPAC NameN-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C3CCCCC3)C2=O)nc1)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C20H21F3N4O2S/c21-20(22,23)16-8-7-15(30-16)18(28)25-13-6-9-17(24-12-13)27-11-10-26(19(27)29)14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H,25,28)
InChIKeyDQQXHBWCXQAFBN-UHFFFAOYSA-N
XLogP4.99
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide
CID 53187627
3-bromo-N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]benzamide
CID 53187744
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]furan-3-carboxamide
CID 53187607
N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]thiophene-3-carboxamide
CID 53187755
N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]pentanamide
CID 53187776
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-3-methylbenzamide
CID 53187620
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 53187724
N-[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]oxolane-3-carboxamide
CID 53187779
N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-chlorothiophene-2-carboxamide
CID 53187529
N-[[6-(3-cyclopentyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 178023317
N-[6-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 53187571
N-[6-(3-ethyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 53187426

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide (CID 53187638) is N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide is O=C(Nc1ccc(N2CCN(C3CCCCC3)C2=O)nc1)c1ccc(C(F)(F)F)s1.
What is the InChIKey of N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is DQQXHBWCXQAFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2S/c21-20(22,23)16-8-7-15(30-16)18(28)25-13-6-9-17(24-12-13)27-11-10-26(19(27)29)14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2,(H,25,28).
What are the key properties of N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide?
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 53187638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).