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

C14H14ClN3O — CID 107244492

IUPAC5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C14H14ClN3O/c1-9-3-5-11(6-4-9)10(2)18-14(19)12-7-17-13(15)8-16-12/h3-8,10H,1-2H3,(H,18,19)
InChIKeyWHGRBOVWCUBVID-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.93
Rot. Bonds3

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

5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 107244492) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID107244492
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C14H14ClN3O/c1-9-3-5-11(6-4-9)10(2)18-14(19)12-7-17-13(15)8-16-12/h3-8,10H,1-2H3,(H,18,19)
InChIKeyWHGRBOVWCUBVID-UHFFFAOYSA-N
XLogP2.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[1-(4-methylphenyl)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-methyl-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 47161122
5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244718
5-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 62954039
5-chloro-N-[1-(3-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 107236590
5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 103803276
4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47161139
5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 107257634
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
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
CID 107372068
5-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103817083

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide (CID 107244492) is 5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide is Cc1ccc(C(C)NC(=O)c2cnc(Cl)cn2)cc1.
What is the InChIKey of 5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is WHGRBOVWCUBVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-9-3-5-11(6-4-9)10(2)18-14(19)12-7-17-13(15)8-16-12/h3-8,10H,1-2H3,(H,18,19).
What are the key properties of 5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide?
5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.93, 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-(4-methylphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107244492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).