5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide

C22H22ClN3O2 — CID 109190170

IUPAC5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C22H22ClN3O2/c1-28-21-5-3-2-4-17(21)14-26-22(27)20-11-10-19(15-25-20)24-13-12-16-6-8-18(23)9-7-16/h2-11,15,24H,12-14H2,1H3,(H,26,27)
InChIKeyISEINMYCDFLBJY-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.33
Rot. Bonds8

About 5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide

5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109190170) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109190170
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C22H22ClN3O2/c1-28-21-5-3-2-4-17(21)14-26-22(27)20-11-10-19(15-25-20)24-13-12-16-6-8-18(23)9-7-16/h2-11,15,24H,12-14H2,1H3,(H,26,27)
InChIKeyISEINMYCDFLBJY-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

N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109184031
N-[(4-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109189600
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
5-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190217
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109190273
5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192510
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109190258
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189383
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109190170) is 5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is ISEINMYCDFLBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-28-21-5-3-2-4-17(21)14-26-22(27)20-11-10-19(15-25-20)24-13-12-16-6-8-18(23)9-7-16/h2-11,15,24H,12-14H2,1H3,(H,26,27).
What are the key properties of 5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-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 5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109190170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).