N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide

C15H16ClN3O — CID 47161938

IUPACN-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(C)C(C)c2cccc(Cl)c2)cn1
InChIInChI=1S/C15H16ClN3O/c1-10-8-18-14(9-17-10)15(20)19(3)11(2)12-5-4-6-13(16)7-12/h4-9,11H,1-3H3
InChIKeyHCVWBEKPDGXEBV-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.27
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide

N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide (PubChem CID 47161938) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide
PubChem CID47161938
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(C)C(C)c2cccc(Cl)c2)cn1
InChIInChI=1S/C15H16ClN3O/c1-10-8-18-14(9-17-10)15(20)19(3)11(2)12-5-4-6-13(16)7-12/h4-9,11H,1-3H3
InChIKeyHCVWBEKPDGXEBV-UHFFFAOYSA-N
XLogP3.27
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62978573
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62978753
6-amino-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62728769
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55761446
N-[1-(3-chlorophenyl)ethyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 46591279
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
CID 96568600
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66123414
2-amino-6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzamide
CID 63659864
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 46591274
N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide
CID 105069956

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide (CID 47161938) is N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(C)C(C)c2cccc(Cl)c2)cn1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide?
The InChIKey is HCVWBEKPDGXEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-8-18-14(9-17-10)15(20)19(3)11(2)12-5-4-6-13(16)7-12/h4-9,11H,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 47161938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).