5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide

C22H31N3O3S — CID 86763596

IUPAC5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide
SMILESCCN(c1scc(C(=O)NCc2c(C)cc(C)n(C)c2=O)c1C)C1CCOCC1
InChIInChI=1S/C22H31N3O3S/c1-6-25(17-7-9-28-10-8-17)22-16(4)19(13-29-22)20(26)23-12-18-14(2)11-15(3)24(5)21(18)27/h11,13,17H,6-10,12H2,1-5H3,(H,23,26)
InChIKeyVSNXIWYGHMHREB-UHFFFAOYSA-N
MW417.58 g/mol
LogP3.31
Rot. Bonds6

About 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide

5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide (PubChem CID 86763596) has the molecular formula C22H31N3O3S and a molecular weight of 417.58 g/mol. Its IUPAC name is 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide
PubChem CID86763596
Molecular FormulaC22H31N3O3S
Molecular Weight417.58 g/mol
Exact Mass417.21
IUPAC Name5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide
SMILESCCN(c1scc(C(=O)NCc2c(C)cc(C)n(C)c2=O)c1C)C1CCOCC1
InChIInChI=1S/C22H31N3O3S/c1-6-25(17-7-9-28-10-8-17)22-16(4)19(13-29-22)20(26)23-12-18-14(2)11-15(3)24(5)21(18)27/h11,13,17H,6-10,12H2,1-5H3,(H,23,26)
InChIKeyVSNXIWYGHMHREB-UHFFFAOYSA-N
XLogP3.31
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide (CID 86763596) is 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide is CCN(c1scc(C(=O)NCc2c(C)cc(C)n(C)c2=O)c1C)C1CCOCC1.
What is the InChIKey of 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide?
The InChIKey is VSNXIWYGHMHREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3S/c1-6-25(17-7-9-28-10-8-17)22-16(4)19(13-29-22)20(26)23-12-18-14(2)11-15(3)24(5)21(18)27/h11,13,17H,6-10,12H2,1-5H3,(H,23,26).
What are the key properties of 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide?
5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide has a molecular weight of 417.58 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(oxan-4-yl)amino]-4-methyl-N-[(1,4,6-trimethyl-2-oxo-3-pyridinyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 86763596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).