5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide

C25H35N3O2S — CID 121268949

IUPAC5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESC/C=C(/c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(N(C)C)CC1
InChIInChI=1S/C25H35N3O2S/c1-7-20(18-8-10-19(11-9-18)28(5)6)23-17(4)22(14-31-23)24(29)26-13-21-15(2)12-16(3)27-25(21)30/h7,12,14,18-19H,8-11,13H2,1-6H3,(H,26,29)(H,27,30)/b20-7+
InChIKeyXCDDMQLPMMUTOY-IFRROFPPSA-N
MW441.64 g/mol
LogP4.82
Rot. Bonds6

About 5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide

5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (PubChem CID 121268949) has the molecular formula C25H35N3O2S and a molecular weight of 441.64 g/mol. Its IUPAC name is 5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
PubChem CID121268949
Molecular FormulaC25H35N3O2S
Molecular Weight441.64 g/mol
Exact Mass441.24
IUPAC Name5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESC/C=C(/c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(N(C)C)CC1
InChIInChI=1S/C25H35N3O2S/c1-7-20(18-8-10-19(11-9-18)28(5)6)23-17(4)22(14-31-23)24(29)26-13-21-15(2)12-16(3)27-25(21)30/h7,12,14,18-19H,8-11,13H2,1-6H3,(H,26,29)(H,27,30)/b20-7+
InChIKeyXCDDMQLPMMUTOY-IFRROFPPSA-N
XLogP4.82
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.64
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-5-{(1R)-1-[trans-4-(3-methoxyazetidin-1-yl)cyclohexyl]ethyl}-4-methylthiophene-3-carboxamide
CID 121377640
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-(4-methylcyclohexyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
CID 24979973
N-{2-[(4-phenylcyclohexyl)amino]ethyl}thiophene-2-carboxamide
CID 3156893
N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3241911
N-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 3525907
4-tert-butyl-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 5154807
Ethyl 4-(4,5,6,7-tetrahydro-1-benzothiophene-3-amido)piperidine-1-carboxylate
CID 5308557
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 9550700
N-Isopropyl-1'-(4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonyl)-[1,4'-bipiperidine]-4-carboxamide
CID 16187585
N-{3-[butyl(ethyl)amino]propyl}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 16193882
N-[3-(2,6-Dimethylpiperidin-1-YL)propyl]-4H,5H,6H,7H,8H-cyclohepta[B]thiophene-3-carboxamide
CID 20881880

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (CID 121268949) is 5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is C/C=C(/c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(N(C)C)CC1.
What is the InChIKey of 5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The InChIKey is XCDDMQLPMMUTOY-IFRROFPPSA-N. The full InChI is InChI=1S/C25H35N3O2S/c1-7-20(18-8-10-19(11-9-18)28(5)6)23-17(4)22(14-31-23)24(29)26-13-21-15(2)12-16(3)27-25(21)30/h7,12,14,18-19H,8-11,13H2,1-6H3,(H,26,29)(H,27,30)/b20-7+.
What are the key properties of 5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide has a molecular weight of 441.64 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-[4-(dimethylamino)cyclohexyl]prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 121268949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).