1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide

C20H29N3O3S — CID 46902846

IUPAC1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide
SMILESCCCCN1C(=O)C(CC(=O)NCc2cccs2)CC(C(=O)N(C)C)=C1C
InChIInChI=1S/C20H29N3O3S/c1-5-6-9-23-14(2)17(20(26)22(3)4)11-15(19(23)25)12-18(24)21-13-16-8-7-10-27-16/h7-8,10,15H,5-6,9,11-13H2,1-4H3,(H,21,24)
InChIKeyVQGIRMIWILDZKD-UHFFFAOYSA-N
MW391.54 g/mol
LogP2.77
Rot. Bonds8

About 1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide

1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide (PubChem CID 46902846) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is 1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide
PubChem CID46902846
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC Name1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide
SMILESCCCCN1C(=O)C(CC(=O)NCc2cccs2)CC(C(=O)N(C)C)=C1C
InChIInChI=1S/C20H29N3O3S/c1-5-6-9-23-14(2)17(20(26)22(3)4)11-15(19(23)25)12-18(24)21-13-16-8-7-10-27-16/h7-8,10,15H,5-6,9,11-13H2,1-4H3,(H,21,24)
InChIKeyVQGIRMIWILDZKD-UHFFFAOYSA-N
XLogP2.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide (CID 46902846) is 1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide is CCCCN1C(=O)C(CC(=O)NCc2cccs2)CC(C(=O)N(C)C)=C1C.
What is the InChIKey of 1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide?
The InChIKey is VQGIRMIWILDZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-5-6-9-23-14(2)17(20(26)22(3)4)11-15(19(23)25)12-18(24)21-13-16-8-7-10-27-16/h7-8,10,15H,5-6,9,11-13H2,1-4H3,(H,21,24).
What are the key properties of 1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide?
1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N,N,6-trimethyl-2-oxo-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46902846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).