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

C20H27N3O3S — CID 131954010

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide
SMILESCCN(c1ccc(C(=O)NCC2C(=O)N=C(C)C=C2C)s1)C1CCOCC1
InChIInChI=1S/C20H27N3O3S/c1-4-23(15-7-9-26-10-8-15)18-6-5-17(27-18)20(25)21-12-16-13(2)11-14(3)22-19(16)24/h5-6,11,15-16H,4,7-10,12H2,1-3H3,(H,21,25)
InChIKeyDGARMBKBQMZXTC-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.05
Rot. Bonds6

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

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide (PubChem CID 131954010) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide
PubChem CID131954010
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide
SMILESCCN(c1ccc(C(=O)NCC2C(=O)N=C(C)C=C2C)s1)C1CCOCC1
InChIInChI=1S/C20H27N3O3S/c1-4-23(15-7-9-26-10-8-15)18-6-5-17(27-18)20(25)21-12-16-13(2)11-14(3)22-19(16)24/h5-6,11,15-16H,4,7-10,12H2,1-3H3,(H,21,25)
InChIKeyDGARMBKBQMZXTC-UHFFFAOYSA-N
XLogP3.05
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-[ethyl(oxan-4-yl)amino]-3-methylthiophene-2-carboxamide
CID 131953985
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-2,4-dimethylthiophene-3-carboxamide
CID 131954029
2-cyano-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methylthiophene-3-carboxamide
CID 131954030
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-pyrrolidin-3-ylthiophene-3-carboxamide
CID 131954033
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-piperidin-4-ylthiophene-3-carboxamide
CID 131954035
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-4-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-3-carboxamide
CID 131954036
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)thiophene-2-carboxamide
CID 86763595
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2,4-dimethylthiophene-3-carboxamide
CID 86763933
3-[[5-[[(3E)-2-ethylidene-5-methyl-4-(propan-2-ylidenecarbamoyl)hexa-3,5-dienyl]-methylamino]thiophene-2-carbonyl]amino]-5-methylhexanoic acid
CID 124027476
N-cyclohexyl-4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carboxamide
CID 136394076
N-[4-[(dimethylamino)methyl]cyclohexyl]-4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carboxamide
CID 154548456
5-acetamido-N-[(2S)-4-methyl-2-morpholin-4-ylpentyl]thiophene-2-carboxamide
CID 30751701

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide (CID 131954010) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide is CCN(c1ccc(C(=O)NCC2C(=O)N=C(C)C=C2C)s1)C1CCOCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide?
The InChIKey is DGARMBKBQMZXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-23(15-7-9-26-10-8-15)18-6-5-17(27-18)20(25)21-12-16-13(2)11-14(3)22-19(16)24/h5-6,11,15-16H,4,7-10,12H2,1-3H3,(H,21,25).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 131954010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).