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

C24H35BrN4O2S — CID 87056458

IUPAC2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCCN(c1sc(Br)c(C(=O)NCc2c(C)[nH]c(C)cc2=O)c1C)C1CCC(N(C)C)CC1
InChIInChI=1S/C24H35BrN4O2S/c1-7-29(18-10-8-17(9-11-18)28(5)6)24-15(3)21(22(25)32-24)23(31)26-13-19-16(4)27-14(2)12-20(19)30/h12,17-18H,7-11,13H2,1-6H3,(H,26,31)(H,27,30)
InChIKeyKUTDCXRLWODTGT-UHFFFAOYSA-N
MW523.54 g/mol
LogP4.75
Rot. Bonds7

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

2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (PubChem CID 87056458) has the molecular formula C24H35BrN4O2S and a molecular weight of 523.54 g/mol. Its IUPAC name is 2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
PubChem CID87056458
Molecular FormulaC24H35BrN4O2S
Molecular Weight523.54 g/mol
Exact Mass522.17
IUPAC Name2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCCN(c1sc(Br)c(C(=O)NCc2c(C)[nH]c(C)cc2=O)c1C)C1CCC(N(C)C)CC1
InChIInChI=1S/C24H35BrN4O2S/c1-7-29(18-10-8-17(9-11-18)28(5)6)24-15(3)21(22(25)32-24)23(31)26-13-19-16(4)27-14(2)12-20(19)30/h12,17-18H,7-11,13H2,1-6H3,(H,26,31)(H,27,30)
InChIKeyKUTDCXRLWODTGT-UHFFFAOYSA-N
XLogP4.75
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.54
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-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

5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(6-methoxy-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90252874
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[[6-methyl-4-oxo-2-(1,2-thiazol-5-yl)-1H-pyridin-3-yl]methyl]benzamide
CID 90252875
5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[[4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]thiophene-3-carboxamide
CID 86763363
5-chloro-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[methyl(1-pyridin-2-ylethyl)amino]cyclohexyl]amino]-2-methylbenzamide
CID 90252929
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90151552
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[[6-methyl-4-oxo-2-(1,2,4-triazol-1-yl)-1H-pyridin-3-yl]methyl]benzamide
CID 90252803
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-[3-(dimethylamino)prop-1-ynyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 70874880
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethynylbenzamide
CID 90450761
N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]propanamide
CID 142300586
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(2-methylpyrimidin-5-yl)benzamide
CID 70872436
N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 76902142
5-bromo-3-[[4-[(dimethylamino)methyl]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 163576834

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (CID 87056458) is 2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is CCN(c1sc(Br)c(C(=O)NCc2c(C)[nH]c(C)cc2=O)c1C)C1CCC(N(C)C)CC1.
What is the InChIKey of 2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The InChIKey is KUTDCXRLWODTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35BrN4O2S/c1-7-29(18-10-8-17(9-11-18)28(5)6)24-15(3)21(22(25)32-24)23(31)26-13-19-16(4)27-14(2)12-20(19)30/h12,17-18H,7-11,13H2,1-6H3,(H,26,31)(H,27,30).
What are the key properties of 2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide has a molecular weight of 523.54 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 87056458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).