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

C23H34N4O2S — CID 131954007

IUPAC5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1csc(C(C)N2CCC(N(C)C)CC2)c1C
InChIInChI=1S/C23H34N4O2S/c1-14-11-15(2)25-23(29)19(14)12-24-22(28)20-13-30-21(16(20)3)17(4)27-9-7-18(8-10-27)26(5)6/h11,13,17-19H,7-10,12H2,1-6H3,(H,24,28)
InChIKeyIOVLGVBISQZGPW-UHFFFAOYSA-N
MW430.62 g/mol
LogP3.44
Rot. Bonds6

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

5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (PubChem CID 131954007) has the molecular formula C23H34N4O2S and a molecular weight of 430.62 g/mol. Its IUPAC name is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-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]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
PubChem CID131954007
Molecular FormulaC23H34N4O2S
Molecular Weight430.62 g/mol
Exact Mass430.24
IUPAC Name5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1csc(C(C)N2CCC(N(C)C)CC2)c1C
InChIInChI=1S/C23H34N4O2S/c1-14-11-15(2)25-23(29)19(14)12-24-22(28)20-13-30-21(16(20)3)17(4)27-9-7-18(8-10-27)26(5)6/h11,13,17-19H,7-10,12H2,1-6H3,(H,24,28)
InChIKeyIOVLGVBISQZGPW-UHFFFAOYSA-N
XLogP3.44
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 53.44
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]ethyl]-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]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (CID 131954007) is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-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]ethyl]-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]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1csc(C(C)N2CCC(N(C)C)CC2)c1C.
What is the InChIKey of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The InChIKey is IOVLGVBISQZGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2S/c1-14-11-15(2)25-23(29)19(14)12-24-22(28)20-13-30-21(16(20)3)17(4)27-9-7-18(8-10-27)26(5)6/h11,13,17-19H,7-10,12H2,1-6H3,(H,24,28).
What are the key properties of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide has a molecular weight of 430.62 g/mol, XLogP of 3.44, 6 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]ethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 131954007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).