6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide

C22H22ClN3O2 — CID 68746071

IUPAC6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CCNCCc3cccc(Cl)c3)cc2)nc1
InChIInChI=1S/C22H22ClN3O2/c23-19-3-1-2-17(14-19)11-13-25-12-10-16-4-7-20(8-5-16)28-21-9-6-18(15-26-21)22(24)27/h1-9,14-15,25H,10-13H2,(H2,24,27)
InChIKeyNVFBHIMDMXYMLS-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.00
Rot. Bonds9

About 6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide

6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68746071) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID68746071
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CCNCCc3cccc(Cl)c3)cc2)nc1
InChIInChI=1S/C22H22ClN3O2/c23-19-3-1-2-17(14-19)11-13-25-12-10-16-4-7-20(8-5-16)28-21-9-6-18(15-26-21)22(24)27/h1-9,14-15,25H,10-13H2,(H2,24,27)
InChIKeyNVFBHIMDMXYMLS-UHFFFAOYSA-N
XLogP4.00
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68748065
4-[4-[2-(3-chlorophenyl)ethylcarbamoyl]phenoxy]benzamide
CID 56545147
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[4-[2-methyl-2-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68746672
6-[4-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746496
1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 52642916
6-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 59730004
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
6-[4-[3-[[3-(trifluoromethoxy)phenyl]methylamino]butyl]phenoxy]pyridine-3-carboxamide
CID 68747811
6-[4-[2-[(2-hydroxycyclopentyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68750412
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide
CID 59830886

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide (CID 68746071) is 6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CCNCCc3cccc(Cl)c3)cc2)nc1.
What is the InChIKey of 6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is NVFBHIMDMXYMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-19-3-1-2-17(14-19)11-13-25-12-10-16-4-7-20(8-5-16)28-21-9-6-18(15-26-21)22(24)27/h1-9,14-15,25H,10-13H2,(H2,24,27).
What are the key properties of 6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide?
6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68746071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).