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

C24H30F3N3O2S — CID 121305229

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2csc(CCC=C3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1
InChIInChI=1S/C24H30F3N3O2S/c1-15-11-16(2)29-23(32)19(15)12-28-22(31)20-13-33-21(17(20)3)6-4-5-18-7-9-30(10-8-18)14-24(25,26)27/h5,11,13H,4,6-10,12,14H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyDAMWEAQRMDYNGI-UHFFFAOYSA-N
MW481.58 g/mol
LogP4.81
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[3-[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-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide (PubChem CID 121305229) 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-[3-[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-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide
PubChem CID121305229
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-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2csc(CCC=C3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1
InChIInChI=1S/C24H30F3N3O2S/c1-15-11-16(2)29-23(32)19(15)12-28-22(31)20-13-33-21(17(20)3)6-4-5-18-7-9-30(10-8-18)14-24(25,26)27/h5,11,13H,4,6-10,12,14H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyDAMWEAQRMDYNGI-UHFFFAOYSA-N
XLogP4.81
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 2729508
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CID 121268949
N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3244633
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 9550700
N-(3,4-difluorobenzyl)-3-[1-(3-thienylcarbonyl)piperidin-3-yl]propanamide
CID 16188964
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
CID 118432638
5-((1R,2R)-2-((1-acetylpiperidin-4-yl)amino)cyclo-propyl)-N-(4,4-difluorocyclohexyl)-thiophene-3-carboxamide
CID 118432996
5-((1R,2R)-2-((1-cyclopropyl-piperidin-4-yl)-amino)cyclopropyl)-N-(4,4-difluorocyclohexyl)-thiophene-3-carboxamide
CID 118433088
5-((1R,2R)-2-((1-(cyclopropyl-carbonyl)piperidin-4-yl)amino)-cyclopropyl)-N-(4,4-difluorocyclohexyl)-thiophene-3-carboxamide
CID 118433279
5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 131709609
5-[(1S,2R)-2-[(1-cyclopropylpiperidin-4-yl)amino]cyclopropyl]-N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
CID 131709614

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[3-[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-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide (CID 121305229) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[3-[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-[3-[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-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide is Cc1cc(C)c(CNC(=O)c2csc(CCC=C3CCN(CC(F)(F)F)CC3)c2C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide?
The InChIKey is DAMWEAQRMDYNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O2S/c1-15-11-16(2)29-23(32)19(15)12-28-22(31)20-13-33-21(17(20)3)6-4-5-18-7-9-30(10-8-18)14-24(25,26)27/h5,11,13H,4,6-10,12,14H2,1-3H3,(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-[3-[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-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 4.81, 7 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-[3-[1-(2,2,2-trifluoroethyl)piperidin-4-ylidene]propyl]thiophene-3-carboxamide is sourced from PubChem (CID 121305229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).