N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide

C24H22F3N3O3S — CID 67412260

IUPACN-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCC3(CC2)OCCO3)nc1)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C24H22F3N3O3S/c25-24(26,27)21-18(16-4-2-1-3-5-16)14-19(34-21)22(31)29-17-6-7-20(28-15-17)30-10-8-23(9-11-30)32-12-13-33-23/h1-7,14-15H,8-13H2,(H,29,31)
InChIKeyLVEZGDACTXVCPW-UHFFFAOYSA-N
MW489.52 g/mol
LogP5.42
Rot. Bonds4

About N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide

N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 67412260) has the molecular formula C24H22F3N3O3S and a molecular weight of 489.52 g/mol. Its IUPAC name is N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID67412260
Molecular FormulaC24H22F3N3O3S
Molecular Weight489.52 g/mol
Exact Mass489.13
IUPAC NameN-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCC3(CC2)OCCO3)nc1)c1cc(-c2ccccc2)c(C(F)(F)F)s1
InChIInChI=1S/C24H22F3N3O3S/c25-24(26,27)21-18(16-4-2-1-3-5-16)14-19(34-21)22(31)29-17-6-7-20(28-15-17)30-10-8-23(9-11-30)32-12-13-33-23/h1-7,14-15H,8-13H2,(H,29,31)
InChIKeyLVEZGDACTXVCPW-UHFFFAOYSA-N
XLogP5.42
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide (CID 67412260) is N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide is O=C(Nc1ccc(N2CCC3(CC2)OCCO3)nc1)c1cc(-c2ccccc2)c(C(F)(F)F)s1.
What is the InChIKey of N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is LVEZGDACTXVCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O3S/c25-24(26,27)21-18(16-4-2-1-3-5-16)14-19(34-21)22(31)29-17-6-7-20(28-15-17)30-10-8-23(9-11-30)32-12-13-33-23/h1-7,14-15H,8-13H2,(H,29,31).
What are the key properties of N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide?
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 489.52 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 67412260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).