4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide

C24H36N4O2S — CID 131953987

IUPAC4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide
SMILESCCN(c1csc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)C1CCC(N(C)C)CC1
InChIInChI=1S/C24H36N4O2S/c1-7-28(19-10-8-18(9-11-19)27(5)6)21-14-31-22(17(21)4)24(30)25-13-20-15(2)12-16(3)26-23(20)29/h12,14,18-20H,7-11,13H2,1-6H3,(H,25,30)
InChIKeyCWIVRGZAPIHKOC-UHFFFAOYSA-N
MW444.65 g/mol
LogP4.05
Rot. Bonds7

About 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide

4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide (PubChem CID 131953987) has the molecular formula C24H36N4O2S and a molecular weight of 444.65 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide
PubChem CID131953987
Molecular FormulaC24H36N4O2S
Molecular Weight444.65 g/mol
Exact Mass444.26
IUPAC Name4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide
SMILESCCN(c1csc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)C1CCC(N(C)C)CC1
InChIInChI=1S/C24H36N4O2S/c1-7-28(19-10-8-18(9-11-19)27(5)6)21-14-31-22(17(21)4)24(30)25-13-20-15(2)12-16(3)26-23(20)29/h12,14,18-20H,7-11,13H2,1-6H3,(H,25,30)
InChIKeyCWIVRGZAPIHKOC-UHFFFAOYSA-N
XLogP4.05
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.65
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-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-3H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-methylthiophene-2-carboxamide
CID 131953985
2-cyano-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 131954026
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-methylthiophene-2-carboxamide
CID 86764909
4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide
CID 86764911
4-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide
CID 117689040
[4-[[5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-4-methylthiophen-3-yl]-ethylamino]cyclohexylidene]-dimethylazanium
CID 123700440
4-[[4-(Dimethylamino)cyclohexyl]-ethylamino]-3-methylthiophene-2-carboxamide
CID 142795810
4-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide;ethane;N-methylmethanamine
CID 144740450

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide (CID 131953987) is 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide is CCN(c1csc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)C1CCC(N(C)C)CC1.
What is the InChIKey of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is CWIVRGZAPIHKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2S/c1-7-28(19-10-8-18(9-11-19)27(5)6)21-14-31-22(17(21)4)24(30)25-13-20-15(2)12-16(3)26-23(20)29/h12,14,18-20H,7-11,13H2,1-6H3,(H,25,30).
What are the key properties of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide?
4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 444.65 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 131953987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).