N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide

C18H26N4OS — CID 47036710

IUPACN-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccnc(N(C)C)c1)c1ccsc1
InChIInChI=1S/C18H26N4OS/c1-5-22(6-2)16(15-8-10-24-13-15)12-20-18(23)14-7-9-19-17(11-14)21(3)4/h7-11,13,16H,5-6,12H2,1-4H3,(H,20,23)
InChIKeyVNRCPISXUMXPDE-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.02
Rot. Bonds8

About N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide (PubChem CID 47036710) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide
PubChem CID47036710
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide
SMILESCCN(CC)C(CNC(=O)c1ccnc(N(C)C)c1)c1ccsc1
InChIInChI=1S/C18H26N4OS/c1-5-22(6-2)16(15-8-10-24-13-15)12-20-18(23)14-7-9-19-17(11-14)21(3)4/h7-11,13,16H,5-6,12H2,1-4H3,(H,20,23)
InChIKeyVNRCPISXUMXPDE-UHFFFAOYSA-N
XLogP3.02
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide (CID 47036710) is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide is CCN(CC)C(CNC(=O)c1ccnc(N(C)C)c1)c1ccsc1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide?
The InChIKey is VNRCPISXUMXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-5-22(6-2)16(15-8-10-24-13-15)12-20-18(23)14-7-9-19-17(11-14)21(3)4/h7-11,13,16H,5-6,12H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide?
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(dimethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 47036710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).