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

C15H16ClN3O2 — CID 103803276

IUPAC5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C15H16ClN3O2/c1-9-4-5-13(21-3)11(6-9)10(2)19-15(20)12-7-18-14(16)8-17-12/h4-8,10H,1-3H3,(H,19,20)
InChIKeyAXZXWBNESNYAOY-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.94
Rot. Bonds4

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

5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 103803276) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID103803276
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C15H16ClN3O2/c1-9-4-5-13(21-3)11(6-9)10(2)19-15(20)12-7-18-14(16)8-17-12/h4-8,10H,1-3H3,(H,19,20)
InChIKeyAXZXWBNESNYAOY-UHFFFAOYSA-N
XLogP2.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107251532
5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244718
4-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide
CID 51212432
5-chloro-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 103817028
5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244492
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
CID 9262198
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
6-ethoxy-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide
CID 52501301
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
5-chloro-N-(1,1-dimethoxypropan-2-yl)pyrazine-2-carboxamide
CID 107372068

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide (CID 103803276) is 5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide is COc1ccc(C)cc1C(C)NC(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is AXZXWBNESNYAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-9-4-5-13(21-3)11(6-9)10(2)19-15(20)12-7-18-14(16)8-17-12/h4-8,10H,1-3H3,(H,19,20).
What are the key properties of 5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide?
5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 103803276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).