N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane

C27H47N3O2S — CID 144740565

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane
SMILESCC.CC.CC1CCCCC1.CCNc1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C16H21N3O2S.C7H14.2C2H6/c1-5-17-16-11(4)13(8-22-16)14(20)18-7-12-9(2)6-10(3)19-15(12)21;1-7-5-3-2-4-6-7;2*1-2/h6,8,17H,5,7H2,1-4H3,(H,18,20)(H,19,21);7H,2-6H2,1H3;2*1-2H3
InChIKeyAVKZXPORWQYUAL-UHFFFAOYSA-N
MW477.76 g/mol
LogP7.36
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane (PubChem CID 144740565) has the molecular formula C27H47N3O2S and a molecular weight of 477.76 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane
PubChem CID144740565
Molecular FormulaC27H47N3O2S
Molecular Weight477.76 g/mol
Exact Mass477.34
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane
SMILESCC.CC.CC1CCCCC1.CCNc1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C16H21N3O2S.C7H14.2C2H6/c1-5-17-16-11(4)13(8-22-16)14(20)18-7-12-9(2)6-10(3)19-15(12)21;1-7-5-3-2-4-6-7;2*1-2/h6,8,17H,5,7H2,1-4H3,(H,18,20)(H,19,21);7H,2-6H2,1H3;2*1-2H3
InChIKeyAVKZXPORWQYUAL-UHFFFAOYSA-N
XLogP7.36
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.76
LogP ≤ 57.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 123433935
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 86763480
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(hydroxymethyl)-4-methylthiophene-3-carboxamide
CID 137383779
5-[(4-aminocyclohexyl)-(hydroxyamino)methyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 123169600
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
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]-5-(4-ethylphenyl)-3-methyl-2-[(Z)-prop-1-enyl]benzamide;methylcyclopentane
CID 145396876
tert-butyl 2-[5-[1-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]propyl]-2-methylcycloheptyl]acetate
CID 123891285
5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
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]-4-methyl-5-[(Z)-6-[pentyl(propyl)amino]hex-2-en-3-yl]thiophene-3-carboxamide
CID 137383780
3-bromo-5-(cyclopentylmethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]benzamide
CID 90150861

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane (CID 144740565) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane is CC.CC.CC1CCCCC1.CCNc1scc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane?
The InChIKey is AVKZXPORWQYUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S.C7H14.2C2H6/c1-5-17-16-11(4)13(8-22-16)14(20)18-7-12-9(2)6-10(3)19-15(12)21;1-7-5-3-2-4-6-7;2*1-2/h6,8,17H,5,7H2,1-4H3,(H,18,20)(H,19,21);7H,2-6H2,1H3;2*1-2H3.
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane has a molecular weight of 477.76 g/mol, XLogP of 7.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane is sourced from PubChem (CID 144740565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).