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

C19H18ClN3O2S — CID 68746402

IUPAC6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CNCCc3cccs3)cc2Cl)nc1
InChIInChI=1S/C19H18ClN3O2S/c20-16-10-13(11-22-8-7-15-2-1-9-26-15)3-5-17(16)25-18-6-4-14(12-23-18)19(21)24/h1-6,9-10,12,22H,7-8,11H2,(H2,21,24)
InChIKeyZBFASBBHEXWGDL-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.02
Rot. Bonds8

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

6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68746402) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide
PubChem CID68746402
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CNCCc3cccs3)cc2Cl)nc1
InChIInChI=1S/C19H18ClN3O2S/c20-16-10-13(11-22-8-7-15-2-1-9-26-15)3-5-17(16)25-18-6-4-14(12-23-18)19(21)24/h1-6,9-10,12,22H,7-8,11H2,(H2,21,24)
InChIKeyZBFASBBHEXWGDL-UHFFFAOYSA-N
XLogP4.02
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.02
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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Related Compounds

5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide
CID 59730219
3-chloro-4-[[5-[[2-(3-fluorophenyl)ethylamino]methyl]-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 68749884
4-[[5-[[(4-fluorophenyl)methylamino]methyl]-2-pyridinyl]oxy]benzamide;4-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]oxy]benzamide;4-[[5-[(2-thiophen-2-ylethylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 87559634
N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine
CID 141084653
methanesulfonic acid;6-[2-methoxy-4-(propylaminomethyl)phenoxy]pyridine-3-carboxamide
CID 87561327
6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746496
6-[4-[(hexylamino)methyl]-2-methoxyphenoxy]pyridine-3-carboxamide;methanesulfonic acid
CID 87560034
6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746071
6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68752063
6-[4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carbonitrile
CID 58878931
4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81152006
4-[2-chloro-4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730026

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide (CID 68746402) is 6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CNCCc3cccs3)cc2Cl)nc1.
What is the InChIKey of 6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is ZBFASBBHEXWGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c20-16-10-13(11-22-8-7-15-2-1-9-26-15)3-5-17(16)25-18-6-4-14(12-23-18)19(21)24/h1-6,9-10,12,22H,7-8,11H2,(H2,21,24).
What are the key properties of 6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide?
6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 387.89 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68746402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).