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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ondelopran
CID 10457387
6-(4-((Phenethylamino)methyl)phenoxy)nicotinamide
CID 44434058
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
CID 44434946
6-(4-((Benzylamino)methyl)phenoxy)nicotinamide
CID 44434949
9P7ZX5Bwv8
CID 9904911
(R)-2-(4-fluorophenoxy)-N-(1-(thiophen-2-yl)ethyl)nicotinamide
CID 18734933
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2093193
2-ethoxy-N-(3-phenylsulfanylpropyl)pyridine-3-carboxamide
CID 2517314
N-{6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}-2-thiophenecarboxamide
CID 2814188
N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-thiophenecarboxamide
CID 2814266
3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 10970792

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).