N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide

C22H22ClN3O2 — CID 109218485

IUPACN-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide
SMILESCCOc1ccccc1Nc1ccnc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C22H22ClN3O2/c1-2-28-21-9-4-3-8-19(21)26-18-11-13-24-20(15-18)22(27)25-12-10-16-6-5-7-17(23)14-16/h3-9,11,13-15H,2,10,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyOGUMPXLNMIBDDW-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.85
Rot. Bonds8

About N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide

N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide (PubChem CID 109218485) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide
PubChem CID109218485
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide
SMILESCCOc1ccccc1Nc1ccnc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C22H22ClN3O2/c1-2-28-21-9-4-3-8-19(21)26-18-11-13-24-20(15-18)22(27)25-12-10-16-6-5-7-17(23)14-16/h3-9,11,13-15H,2,10,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyOGUMPXLNMIBDDW-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109218487
4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217325
N-(4-chlorophenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109221025
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
4-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109218513
2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307935
4-(2-ethoxyanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219092
4-[2-(3-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214119
N-(3,5-dimethylphenyl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109219935
4-(2-ethoxyanilino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219228
N-[2-(3-chlorophenyl)ethyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210794
N-[2-(4-chlorophenyl)ethyl]-6-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109352394

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide (CID 109218485) is N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide is CCOc1ccccc1Nc1ccnc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide?
The InChIKey is OGUMPXLNMIBDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-2-28-21-9-4-3-8-19(21)26-18-11-13-24-20(15-18)22(27)25-12-10-16-6-5-7-17(23)14-16/h3-9,11,13-15H,2,10,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-(2-ethoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109218485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).