N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide

C22H22ClN3O — CID 109241131

IUPACN-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)NCCc3cccc(Cl)c3)c2)c(C)c1
InChIInChI=1S/C22H22ClN3O/c1-15-6-7-21(16(2)10-15)26-20-12-18(13-24-14-20)22(27)25-9-8-17-4-3-5-19(23)11-17/h3-7,10-14,26H,8-9H2,1-2H3,(H,25,27)
InChIKeyGFAHBQAPGLIWJH-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.07
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide (PubChem CID 109241131) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide
PubChem CID109241131
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2cncc(C(=O)NCCc3cccc(Cl)c3)c2)c(C)c1
InChIInChI=1S/C22H22ClN3O/c1-15-6-7-21(16(2)10-15)26-20-12-18(13-24-14-20)22(27)25-9-8-17-4-3-5-19(23)11-17/h3-7,10-14,26H,8-9H2,1-2H3,(H,25,27)
InChIKeyGFAHBQAPGLIWJH-UHFFFAOYSA-N
XLogP5.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109241150
N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232662
5-(4-chloro-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236280
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109224617
N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239903
5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227744
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103459
5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236453
5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235843
N-(2,4-dimethylphenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236799
N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 91486088

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide (CID 109241131) is N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide is Cc1ccc(Nc2cncc(C(=O)NCCc3cccc(Cl)c3)c2)c(C)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is GFAHBQAPGLIWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-15-6-7-21(16(2)10-15)26-20-12-18(13-24-14-20)22(27)25-9-8-17-4-3-5-19(23)11-17/h3-7,10-14,26H,8-9H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109241131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).