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

C24H36N4O2S — CID 131954008

IUPAC5-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCCC(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)
InChIKeyWWIAKHCNEZXKAN-UHFFFAOYSA-N
MW444.65 g/mol
LogP3.83
Rot. Bonds7

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

5-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (PubChem CID 131954008) has the molecular formula C24H36N4O2S and a molecular weight of 444.65 g/mol. Its IUPAC name is 5-[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-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
PubChem CID131954008
Molecular FormulaC24H36N4O2S
Molecular Weight444.65 g/mol
Exact Mass444.26
IUPAC Name5-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCCC(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)
InChIKeyWWIAKHCNEZXKAN-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[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-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (CID 131954008) is 5-[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-[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-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is CCC(c1scc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C)N1CCC(N(C)C)CC1.
What is the InChIKey of 5-[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-UHFFFAOYSA-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).
What are the key properties of 5-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
5-[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-[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 131954008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).