5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide

C24H36N4O2S — CID 131954019

IUPAC5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCC[C@@H](c1scc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)N1CCC(N(C)C)CC1
InChIInChI=1S/C24H36N4O2S/c1-7-21(28-10-8-18(9-11-28)27(5)6)22-17(4)20(14-31-22)23(29)25-13-19-15(2)12-16(3)26-24(19)30/h12,14,18-19,21H,7-11,13H2,1-6H3,(H,25,29)/t19?,21-/m0/s1
InChIKeyWWIAKHCNEZXKAN-QWAKEFERSA-N
MW444.65 g/mol
LogP3.83
Rot. Bonds7

About 5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide

5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (PubChem CID 131954019) has the molecular formula C24H36N4O2S and a molecular weight of 444.65 g/mol. Its IUPAC name is 5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
PubChem CID131954019
Molecular FormulaC24H36N4O2S
Molecular Weight444.65 g/mol
Exact Mass444.26
IUPAC Name5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCC[C@@H](c1scc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)N1CCC(N(C)C)CC1
InChIInChI=1S/C24H36N4O2S/c1-7-21(28-10-8-18(9-11-28)27(5)6)22-17(4)20(14-31-22)23(29)25-13-19-15(2)12-16(3)26-24(19)30/h12,14,18-19,21H,7-11,13H2,1-6H3,(H,25,29)/t19?,21-/m0/s1
InChIKeyWWIAKHCNEZXKAN-QWAKEFERSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methyl-N-[[4-methyl-2-oxo-6-(trifluoromethyl)-3H-pyridin-3-yl]methyl]thiophene-3-carboxamide
CID 131953998
5-[(E)-1-(4-aminocyclohexyl)prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 131954013
tert-butyl 3-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]pyrrolidine-1-carboxylate
CID 131954004
3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-ethylbenzamide
CID 77147056
5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide
CID 78056399
5-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 90168465
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide
CID 131953995
5-[3-(dimethylamino)prop-1-ynyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 146899483
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide
CID 131953991
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-5-[1-(2-methylpropoxy)ethyl]indolizine-7-carboxamide
CID 156907462
5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide
CID 146899493
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[(1,1-dioxothian-4-yl)-ethylamino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 89086593

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (CID 131954019) is 5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is CC[C@@H](c1scc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)N1CCC(N(C)C)CC1.
What is the InChIKey of 5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The InChIKey is WWIAKHCNEZXKAN-QWAKEFERSA-N. The full InChI is InChI=1S/C24H36N4O2S/c1-7-21(28-10-8-18(9-11-28)27(5)6)22-17(4)20(14-31-22)23(29)25-13-19-15(2)12-16(3)26-24(19)30/h12,14,18-19,21H,7-11,13H2,1-6H3,(H,25,29)/t19?,21-/m0/s1.
What are the key properties of 5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide has a molecular weight of 444.65 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 131954019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).