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

C26H35N3O3S — CID 121380013

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(3-methoxy-2H-azet-1-yl)cyclohexyl]ethyl]-4-methylthiophene-3-carboxamide
SMILESCOC1=CN(C2CCC(C(C)c3scc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c3C)CC2)C1
InChIInChI=1S/C26H35N3O3S/c1-15-10-16(2)28-26(31)22(15)11-27-25(30)23-14-33-24(18(23)4)17(3)19-6-8-20(9-7-19)29-12-21(13-29)32-5/h10,12,14,17,19-20H,6-9,11,13H2,1-5H3,(H,27,30)(H,28,31)
InChIKeyJJYRTLPNWKJOJZ-UHFFFAOYSA-N
MW469.65 g/mol
LogP4.76
Rot. Bonds7

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(3-methoxy-2H-azet-1-yl)cyclohexyl]ethyl]-4-methylthiophene-3-carboxamide (PubChem CID 121380013) has the molecular formula C26H35N3O3S and a molecular weight of 469.65 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(3-methoxy-2H-azet-1-yl)cyclohexyl]ethyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(3-methoxy-2H-azet-1-yl)cyclohexyl]ethyl]-4-methylthiophene-3-carboxamide
PubChem CID121380013
Molecular FormulaC26H35N3O3S
Molecular Weight469.65 g/mol
Exact Mass469.24
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(3-methoxy-2H-azet-1-yl)cyclohexyl]ethyl]-4-methylthiophene-3-carboxamide
SMILESCOC1=CN(C2CCC(C(C)c3scc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c3C)CC2)C1
InChIInChI=1S/C26H35N3O3S/c1-15-10-16(2)28-26(31)22(15)11-27-25(30)23-14-33-24(18(23)4)17(3)19-6-8-20(9-7-19)29-12-21(13-29)32-5/h10,12,14,17,19-20H,6-9,11,13H2,1-5H3,(H,27,30)(H,28,31)
InChIKeyJJYRTLPNWKJOJZ-UHFFFAOYSA-N
XLogP4.76
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.65
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-aminocyclohexyl)-(hydroxyamino)methyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 123169600
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
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-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 86763480
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
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]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane
CID 144740565
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
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]-3-[ethyl-(4-propan-2-ylcyclohexyl)amino]-2-methyl-5-(trifluoromethyl)benzamide
CID 137382159
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-[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

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(3-methoxy-2H-azet-1-yl)cyclohexyl]ethyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(3-methoxy-2H-azet-1-yl)cyclohexyl]ethyl]-4-methylthiophene-3-carboxamide (CID 121380013) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(3-methoxy-2H-azet-1-yl)cyclohexyl]ethyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(3-methoxy-2H-azet-1-yl)cyclohexyl]ethyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(3-methoxy-2H-azet-1-yl)cyclohexyl]ethyl]-4-methylthiophene-3-carboxamide is COC1=CN(C2CCC(C(C)c3scc(C(=O)NCc4c(C)cc(C)[nH]c4=O)c3C)CC2)C1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(3-methoxy-2H-azet-1-yl)cyclohexyl]ethyl]-4-methylthiophene-3-carboxamide?
The InChIKey is JJYRTLPNWKJOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3S/c1-15-10-16(2)28-26(31)22(15)11-27-25(30)23-14-33-24(18(23)4)17(3)19-6-8-20(9-7-19)29-12-21(13-29)32-5/h10,12,14,17,19-20H,6-9,11,13H2,1-5H3,(H,27,30)(H,28,31).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(3-methoxy-2H-azet-1-yl)cyclohexyl]ethyl]-4-methylthiophene-3-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(3-methoxy-2H-azet-1-yl)cyclohexyl]ethyl]-4-methylthiophene-3-carboxamide has a molecular weight of 469.65 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[4-(3-methoxy-2H-azet-1-yl)cyclohexyl]ethyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 121380013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).