N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide

C24H30F3N3O2S — CID 121315327

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide
SMILESCCC(=C1CCN(CC(F)(F)F)CC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C24H30F3N3O2S/c1-5-18(17-6-8-30(9-7-17)13-24(25,26)27)21-16(4)20(12-33-21)22(31)28-11-19-14(2)10-15(3)29-23(19)32/h10,12H,5-9,11,13H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyWHKFQBSADFNXEK-UHFFFAOYSA-N
MW481.58 g/mol
LogP5.11
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide (PubChem CID 121315327) has the molecular formula C24H30F3N3O2S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide
PubChem CID121315327
Molecular FormulaC24H30F3N3O2S
Molecular Weight481.58 g/mol
Exact Mass481.20
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide
SMILESCCC(=C1CCN(CC(F)(F)F)CC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C24H30F3N3O2S/c1-5-18(17-6-8-30(9-7-17)13-24(25,26)27)21-16(4)20(12-33-21)22(31)28-11-19-14(2)10-15(3)29-23(19)32/h10,12H,5-9,11,13H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyWHKFQBSADFNXEK-UHFFFAOYSA-N
XLogP5.11
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-(2,6-Dimethylpiperidin-1-YL)propyl]-4H,5H,6H,7H,8H-cyclohepta[B]thiophene-3-carboxamide
CID 20881880
5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-N-(1-(2,2,2-trifluoroethyl)-piperidin-4-yl)thiophene-3-carboxamide
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5-((1R,2R)-2-((1-acetylpiperidin-4-yl)amino)cyclo-propyl)-N-(4,4-difluorocyclohexyl)-thiophene-3-carboxamide
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5-((1R,2R)-2-((1-cyclopropyl-piperidin-4-yl)-amino)cyclopropyl)-N-(4,4-difluorocyclohexyl)-thiophene-3-carboxamide
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5-((1R,2R)-2-((1-(cyclopropyl-carbonyl)piperidin-4-yl)amino)-cyclopropyl)-N-(4,4-difluorocyclohexyl)-thiophene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide (CID 121315327) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide is CCC(=C1CCN(CC(F)(F)F)CC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide?
The InChIKey is WHKFQBSADFNXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O2S/c1-5-18(17-6-8-30(9-7-17)13-24(25,26)27)21-16(4)20(12-33-21)22(31)28-11-19-14(2)10-15(3)29-23(19)32/h10,12H,5-9,11,13H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide is sourced from PubChem (CID 121315327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).