N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide

C19H25N3O2S — CID 86763480

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2csc(N3CCCC3C)c2C)c(=O)[nH]1
InChIInChI=1S/C19H25N3O2S/c1-11-8-12(2)21-18(24)15(11)9-20-17(23)16-10-25-19(14(16)4)22-7-5-6-13(22)3/h8,10,13H,5-7,9H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyHREMAGBXPZHMJC-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.28
Rot. Bonds4

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide (PubChem CID 86763480) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide
PubChem CID86763480
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2csc(N3CCCC3C)c2C)c(=O)[nH]1
InChIInChI=1S/C19H25N3O2S/c1-11-8-12(2)21-18(24)15(11)9-20-17(23)16-10-25-19(14(16)4)22-7-5-6-13(22)3/h8,10,13H,5-7,9H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyHREMAGBXPZHMJC-UHFFFAOYSA-N
XLogP3.28
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-5-(ethylamino)-4-methylthiophene-3-carboxamide;ethane;methylcyclohexane
CID 144740565
5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 123433935
5-[(4-aminocyclohexyl)-(hydroxyamino)methyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 123169600
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
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-(5-morpholin-4-ylpent-2-en-3-yl)thiophene-3-carboxamide
CID 123187472
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
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-[1-(1-pyrimidin-2-ylpiperidin-4-ylidene)propyl]thiophene-3-carboxamide
CID 121305330
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

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide (CID 86763480) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide is Cc1cc(C)c(CNC(=O)c2csc(N3CCCC3C)c2C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide?
The InChIKey is HREMAGBXPZHMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-11-8-12(2)21-18(24)15(11)9-20-17(23)16-10-25-19(14(16)4)22-7-5-6-13(22)3/h8,10,13H,5-7,9H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 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]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 86763480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).