6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide

C22H22ClN3O2 — CID 68746500

IUPAC6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1ccccc1CNCCc1ccc(Oc2ccc(C(N)=O)cn2)c(Cl)c1
InChIInChI=1S/C22H22ClN3O2/c1-15-4-2-3-5-17(15)13-25-11-10-16-6-8-20(19(23)12-16)28-21-9-7-18(14-26-21)22(24)27/h2-9,12,14,25H,10-11,13H2,1H3,(H2,24,27)
InChIKeyCXNQMWBTXBRWLE-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.27
Rot. Bonds8

About 6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide

6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 68746500) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
PubChem CID68746500
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1ccccc1CNCCc1ccc(Oc2ccc(C(N)=O)cn2)c(Cl)c1
InChIInChI=1S/C22H22ClN3O2/c1-15-4-2-3-5-17(15)13-25-11-10-16-6-8-20(19(23)12-16)28-21-9-7-18(14-26-21)22(24)27/h2-9,12,14,25H,10-11,13H2,1H3,(H2,24,27)
InChIKeyCXNQMWBTXBRWLE-UHFFFAOYSA-N
XLogP4.27
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.27
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-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide (CID 68746500) is 6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide is Cc1ccccc1CNCCc1ccc(Oc2ccc(C(N)=O)cn2)c(Cl)c1.
What is the InChIKey of 6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is CXNQMWBTXBRWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15-4-2-3-5-17(15)13-25-11-10-16-6-8-20(19(23)12-16)28-21-9-7-18(14-26-21)22(24)27/h2-9,12,14,25H,10-11,13H2,1H3,(H2,24,27).
What are the key properties of 6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide?
6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-[2-[(2-methylphenyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 68746500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).