5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide

C15H16ClN3O — CID 107244718

IUPAC5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cnc(Cl)cn2)c(C)c1
InChIInChI=1S/C15H16ClN3O/c1-9-4-5-12(10(2)6-9)11(3)19-15(20)13-7-18-14(16)8-17-13/h4-8,11H,1-3H3,(H,19,20)
InChIKeyCDAIBDSPEQCMKW-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.24
Rot. Bonds3

About 5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide

5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 107244718) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID107244718
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cnc(Cl)cn2)c(C)c1
InChIInChI=1S/C15H16ClN3O/c1-9-4-5-12(10(2)6-9)11(3)19-15(20)13-7-18-14(16)8-17-13/h4-8,11H,1-3H3,(H,19,20)
InChIKeyCDAIBDSPEQCMKW-UHFFFAOYSA-N
XLogP3.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 103803276
5-bromo-N-[1-(2,4-dimethylphenyl)ethyl]pyridine-2-carboxamide
CID 62954221
5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244492
5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107251532
5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107235300
5-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107238943
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 107236590
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
CID 107372068
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
CID 81457779

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide (CID 107244718) is 5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide is Cc1ccc(C(C)NC(=O)c2cnc(Cl)cn2)c(C)c1.
What is the InChIKey of 5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is CDAIBDSPEQCMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9-4-5-12(10(2)6-9)11(3)19-15(20)13-7-18-14(16)8-17-13/h4-8,11H,1-3H3,(H,19,20).
What are the key properties of 5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide?
5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107244718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).