2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide

C22H22ClN3O2 — CID 109175999

IUPAC2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C22H22ClN3O2/c1-15-6-7-20(28-2)19(12-15)26-22(27)17-9-11-25-21(14-17)24-10-8-16-4-3-5-18(23)13-16/h3-7,9,11-14H,8,10H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyMNHJOYPHWFXEEP-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.96
Rot. Bonds7

About 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide

2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide (PubChem CID 109175999) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
PubChem CID109175999
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C22H22ClN3O2/c1-15-6-7-20(28-2)19(12-15)26-22(27)17-9-11-25-21(14-17)24-10-8-16-4-3-5-18(23)13-16/h3-7,9,11-14H,8,10H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyMNHJOYPHWFXEEP-UHFFFAOYSA-N
XLogP4.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112901406
2-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109172917
N-(4-chloro-2-methylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172819
2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 109175993
2-(2,6-dimethylanilino)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109176772
4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087816
2-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 109176002
N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide
CID 109169452
N-(2-methoxy-5-methylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213702
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109218513
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109218487
2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 4731310

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide (CID 109175999) is 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide is COc1ccc(C)cc1NC(=O)c1ccnc(NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
The InChIKey is MNHJOYPHWFXEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15-6-7-20(28-2)19(12-15)26-22(27)17-9-11-25-21(14-17)24-10-8-16-4-3-5-18(23)13-16/h3-7,9,11-14H,8,10H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide?
2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109175999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).