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

C27H40N4O2S — CID 140752943

IUPAC5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCC=C(CCCN1CCC(N(C)C)CC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C27H40N4O2S/c1-7-21(9-8-12-31-13-10-22(11-14-31)30(5)6)25-20(4)24(17-34-25)26(32)28-16-23-18(2)15-19(3)29-27(23)33/h7,15,17,22H,8-14,16H2,1-6H3,(H,28,32)(H,29,33)
InChIKeyLZBICHWHSABGJQ-UHFFFAOYSA-N
MW484.71 g/mol
LogP4.50
Rot. Bonds9

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

5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (PubChem CID 140752943) has the molecular formula C27H40N4O2S and a molecular weight of 484.71 g/mol. Its IUPAC name is 5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
PubChem CID140752943
Molecular FormulaC27H40N4O2S
Molecular Weight484.71 g/mol
Exact Mass484.29
IUPAC Name5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
SMILESCC=C(CCCN1CCC(N(C)C)CC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C27H40N4O2S/c1-7-21(9-8-12-31-13-10-22(11-14-31)30(5)6)25-20(4)24(17-34-25)26(32)28-16-23-18(2)15-19(3)29-27(23)33/h7,15,17,22H,8-14,16H2,1-6H3,(H,28,32)(H,29,33)
InChIKeyLZBICHWHSABGJQ-UHFFFAOYSA-N
XLogP4.50
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.71
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide
CID 123187472
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[(Z)-6-[pentyl(propyl)amino]hex-2-en-3-yl]thiophene-3-carboxamide
CID 137383780
5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 123433935
tert-butyl 4-[1-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]prop-1-enyl]piperidine-1-carboxylate
CID 123608787
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-[4-(3-methylbutan-2-yl)cyclohexyl]prop-1-enyl]thiophene-3-carboxamide
CID 123689945
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 86763480
5-[3-[1-(2,2-difluoropropyl)piperidin-4-yl]propyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 121305293
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(hydroxymethyl)-4-methylthiophene-3-carboxamide
CID 137383779
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-[1-(1-pyrimidin-2-ylpiperidin-4-ylidene)propyl]thiophene-3-carboxamide
CID 121305330
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-[(4-aminocyclohexyl)-(hydroxyamino)methyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 123169600
(2S)-2-[4-(dimethylamino)cyclohexyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,4,7-trimethyl-1,3-benzodioxole-5-carboxamide
CID 126481769

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide (CID 140752943) is 5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is CC=C(CCCN1CCC(N(C)C)CC1)c1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.
What is the InChIKey of 5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
The InChIKey is LZBICHWHSABGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O2S/c1-7-21(9-8-12-31-13-10-22(11-14-31)30(5)6)25-20(4)24(17-34-25)26(32)28-16-23-18(2)15-19(3)29-27(23)33/h7,15,17,22H,8-14,16H2,1-6H3,(H,28,32)(H,29,33).
What are the key properties of 5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide?
5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide has a molecular weight of 484.71 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(dimethylamino)piperidin-1-yl]hex-2-en-3-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 140752943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).