N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide

C22H22ClN3O2 — CID 109241150

IUPACN-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1Nc1cncc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C22H22ClN3O2/c1-15-6-7-21(28-2)20(10-15)26-19-12-17(13-24-14-19)22(27)25-9-8-16-4-3-5-18(23)11-16/h3-7,10-14,26H,8-9H2,1-2H3,(H,25,27)
InChIKeyUSMDUXDERMYQJM-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.77
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide (PubChem CID 109241150) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
PubChem CID109241150
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(C)cc1Nc1cncc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C22H22ClN3O2/c1-15-6-7-21(28-2)20(10-15)26-19-12-17(13-24-14-19)22(27)25-9-8-16-4-3-5-18(23)11-16/h3-7,10-14,26H,8-9H2,1-2H3,(H,25,27)
InChIKeyUSMDUXDERMYQJM-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-(3-chlorophenyl)ethyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109241132
N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109241131
5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235843
5-(2-methoxy-5-methylanilino)-N-propylpyridine-3-carboxamide
CID 109222894
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109218487
N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232662
N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109244574
N-[2-(cyclohexen-1-yl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109227459
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103459
2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260370
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109224617
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide (CID 109241150) is N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide is COc1ccc(C)cc1Nc1cncc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide?
The InChIKey is USMDUXDERMYQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15-6-7-21(28-2)20(10-15)26-19-12-17(13-24-14-19)22(27)25-9-8-16-4-3-5-18(23)11-16/h3-7,10-14,26H,8-9H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-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-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109241150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).