N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide

C16H16Cl2N2O — CID 38551924

IUPACN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C16H16Cl2N2O/c1-10-4-5-12(9-19-10)16(21)20(3)11(2)14-7-6-13(17)8-15(14)18/h4-9,11H,1-3H3/t11-/m1/s1
InChIKeyZKTBVOYQLGJNSM-LLVKDONJSA-N
MW323.22 g/mol
LogP4.53
Rot. Bonds3

About N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide (PubChem CID 38551924) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
PubChem CID38551924
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C16H16Cl2N2O/c1-10-4-5-12(9-19-10)16(21)20(3)11(2)14-7-6-13(17)8-15(14)18/h4-9,11H,1-3H3/t11-/m1/s1
InChIKeyZKTBVOYQLGJNSM-LLVKDONJSA-N
XLogP4.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide
CID 55609242
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 134054395
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 61044427
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 63526168
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 46580501
methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate
CID 51117205
N-[1-(2,4-dichlorophenyl)ethyl]-3-(dimethylsulfamoyl)-N,4,5-trimethylbenzamide
CID 46588572
5,6-dichloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 61052151
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119286052
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 95045611

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide (CID 38551924) is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is ZKTBVOYQLGJNSM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-10-4-5-12(9-19-10)16(21)20(3)11(2)14-7-6-13(17)8-15(14)18/h4-9,11H,1-3H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide?
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 323.22 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 38551924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).