6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide

C21H20ClN3O2 — CID 59729911

IUPAC6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2Cl)nc1
InChIInChI=1S/C21H20ClN3O2/c22-18-12-15(10-11-24-13-16-4-2-1-3-5-16)6-8-19(18)27-20-9-7-17(14-25-20)21(23)26/h1-9,12,14,24H,10-11,13H2,(H2,23,26)
InChIKeyNXMZVBVKTIWAOW-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.96
Rot. Bonds8

About 6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide

6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide (PubChem CID 59729911) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide
PubChem CID59729911
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2Cl)nc1
InChIInChI=1S/C21H20ClN3O2/c22-18-12-15(10-11-24-13-16-4-2-1-3-5-16)6-8-19(18)27-20-9-7-17(14-25-20)21(23)26/h1-9,12,14,24H,10-11,13H2,(H2,23,26)
InChIKeyNXMZVBVKTIWAOW-UHFFFAOYSA-N
XLogP3.96
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.96
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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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide (CID 59729911) is 6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2Cl)nc1.
What is the InChIKey of 6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide?
The InChIKey is NXMZVBVKTIWAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-18-12-15(10-11-24-13-16-4-2-1-3-5-16)6-8-19(18)27-20-9-7-17(14-25-20)21(23)26/h1-9,12,14,24H,10-11,13H2,(H2,23,26).
What are the key properties of 6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide?
6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(benzylamino)ethyl]-2-chlorophenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59729911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).