N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide

C16H16Cl2N2O — CID 73388060

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)cnc1C
InChIInChI=1S/C16H16Cl2N2O/c1-10-7-13(9-20-11(10)2)16(21)19-6-5-12-3-4-14(17)8-15(12)18/h3-4,7-9H,5-6H2,1-2H3,(H,19,21)
InChIKeyLLJWLJNCNWVMAQ-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.98
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide (PubChem CID 73388060) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
PubChem CID73388060
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)cnc1C
InChIInChI=1S/C16H16Cl2N2O/c1-10-7-13(9-20-11(10)2)16(21)19-6-5-12-3-4-14(17)8-15(12)18/h3-4,7-9H,5-6H2,1-2H3,(H,19,21)
InChIKeyLLJWLJNCNWVMAQ-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61038721
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101412
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 9269519
N-[2-(2,4-dichlorophenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 2557905
N-[2-(2,4-dichlorophenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151833
N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 109239385
2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109263983
3-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylbenzamide
CID 104851790
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 62153413
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252745

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide (CID 73388060) is N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide is Cc1cc(C(=O)NCCc2ccc(Cl)cc2Cl)cnc1C.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is LLJWLJNCNWVMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10-7-13(9-20-11(10)2)16(21)19-6-5-12-3-4-14(17)8-15(12)18/h3-4,7-9H,5-6H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 323.22 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 73388060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).