6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

C22H22ClN3O2 — CID 109157157

IUPAC6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C22H22ClN3O2/c1-28-20-8-3-2-6-17(20)14-26-22(27)18-9-10-21(25-15-18)24-12-11-16-5-4-7-19(23)13-16/h2-10,13,15H,11-12,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyVWPPVQMMXLZETR-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.33
Rot. Bonds8

About 6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109157157) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109157157
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C22H22ClN3O2/c1-28-20-8-3-2-6-17(20)14-26-22(27)18-9-10-21(25-15-18)24-12-11-16-5-4-7-19(23)13-16/h2-10,13,15H,11-12,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyVWPPVQMMXLZETR-UHFFFAOYSA-N
XLogP4.33
TPSA63.25 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 ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156901
6-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157138
N-[2-(3-chlorophenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282308
N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157134
6-(4-chloro-2-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157181
6-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1447920
6-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156428
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240
N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348867
N-(3-chlorophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158234
6-[2-(3-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109161942
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109157157) is 6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1ccc(NCCc2cccc(Cl)c2)nc1.
What is the InChIKey of 6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is VWPPVQMMXLZETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-28-20-8-3-2-6-17(20)14-26-22(27)18-9-10-21(25-15-18)24-12-11-16-5-4-7-19(23)13-16/h2-10,13,15H,11-12,14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109157157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).