6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide

C19H19N3O2S — CID 68746483

IUPAC6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CNCCc3cccs3)cc2)nc1
InChIInChI=1S/C19H19N3O2S/c20-19(23)15-5-8-18(22-13-15)24-16-6-3-14(4-7-16)12-21-10-9-17-2-1-11-25-17/h1-8,11,13,21H,9-10,12H2,(H2,20,23)
InChIKeyUTCMSSZTKNKDLO-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.37
Rot. Bonds8

About 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide

6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68746483) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide
PubChem CID68746483
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CNCCc3cccs3)cc2)nc1
InChIInChI=1S/C19H19N3O2S/c20-19(23)15-5-8-18(22-13-15)24-16-6-3-14(4-7-16)12-21-10-9-17-2-1-11-25-17/h1-8,11,13,21H,9-10,12H2,(H2,20,23)
InChIKeyUTCMSSZTKNKDLO-UHFFFAOYSA-N
XLogP3.37
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide (CID 68746483) is 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CNCCc3cccs3)cc2)nc1.
What is the InChIKey of 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is UTCMSSZTKNKDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c20-19(23)15-5-8-18(22-13-15)24-16-6-3-14(4-7-16)12-21-10-9-17-2-1-11-25-17/h1-8,11,13,21H,9-10,12H2,(H2,20,23).
What are the key properties of 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide?
6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68746483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).