N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide

C22H22ClN3O2 — CID 109193668

IUPACN-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccc(C(=O)NCCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C22H22ClN3O2/c1-15-3-10-21(28-2)20(13-15)26-18-8-9-19(25-14-18)22(27)24-12-11-16-4-6-17(23)7-5-16/h3-10,13-14,26H,11-12H2,1-2H3,(H,24,27)
InChIKeyLFCLIMYZUGFIFJ-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.77
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide (PubChem CID 109193668) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
PubChem CID109193668
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1Nc1ccc(C(=O)NCCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C22H22ClN3O2/c1-15-3-10-21(28-2)20(13-15)26-18-8-9-19(25-14-18)22(27)24-12-11-16-4-6-17(23)7-5-16/h3-10,13-14,26H,11-12H2,1-2H3,(H,24,27)
InChIKeyLFCLIMYZUGFIFJ-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109192365
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
5-(4-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192765
5-(2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191540
5-(2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192496
N-[2-(4-fluorophenyl)ethyl]-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
CID 109122177
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109218487
N-(2-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109198831
N-[2-(4-chlorophenyl)ethyl]-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109193674
N-(4-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109198963
N-(2,5-dimethoxyphenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109200105
5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191813

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide (CID 109193668) is N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide is COc1ccc(C)cc1Nc1ccc(C(=O)NCCc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
The InChIKey is LFCLIMYZUGFIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15-3-10-21(28-2)20(13-15)26-18-8-9-19(25-14-18)22(27)24-12-11-16-4-6-17(23)7-5-16/h3-10,13-14,26H,11-12H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109193668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).